2-Nitropropane supplier | CasNO.79-46-9

Name
2-Nitropropane
EINECS 201-209-1
CAS No. 79-46-9
Article Data65
CAS DataBase
Density 0.992
Solubility 1.7 g/100 mL (20 ºC)
Melting Point -93 ºC
Formula C3H7 N O2
Boiling Point 119-122 ºC
Molecular Weight 89.0941
Flash Point 28 ºC
Transport Information UN 2608
Appearance liquid
Safety Confirmed carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Poison by intraperitoneal route. Moderately toxic by ingestion and inhalation. Human systemic effects by inhalation: anorexia, hypermotility, diarrhea, nausea or vomiting. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. Can cause liver and kidney injury, methemoglobinemia, and cyanosis. Very dangerous fire hazard when exposed to heat, open flame, or oxidizers. May explode on heating. Violent reactions with chlorosulfonic acid, oleum. May react with amines + heavy metal oxides (e.g., mercury oxide or silver oxide) to form explosive salts. May ignite on contact with mixtures of carbon + hopcalite, which are used in some respirators. Hopcalite is a catalyst consisting of coprecipitated copper(II) oxide and manganese(IV) oxide. To fight fire, use alcohol foam, CO₂, dry chemical, water spray. When heated to decomposition it emits toxic fumes of NO_x.
Analytical Methods:

For occupational chemical analysis use OSHA: #46 or NIOSH: 2-Nitropropane, 2528.
Risk Codes R10;R20/22;R45
Molecular Structure
Hazard Symbols
Synonyms 1-Methylnitroethane;2-Nitropropane; Dimethylnitromethane; Isonitropropane; NSC 5369
PSA 45.82000
LogP 1.19470

Synthetic route

: 127-06-0
acetone oxime

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With dihydrogen peroxide; sodium carbonate In methanol at 60℃; under 750.075 Torr;	96.5%

: 74-98-6
propane

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With N-hydroxyphthalimide; air; Nitrogen dioxide In various solvent(s) at 100℃; under 3800.26 Torr; for 14h;	65%
With water; nitric acid at 185 - 215℃; under 46337 Torr;
With oxygen; nitric acid in der Gasphase;

: 75-26-3
isopropyl bromide

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With sodium nitrite In N,N-dimethyl-formamide at 50℃; for 5h; Reagent/catalyst; Solvent; Time;	70.9%
With poly(N-ethyl-4-vinylpyridinium)nitrite In hexane at 20℃; for 72h;	63%
With sodium nitrite In N,N,N,N,N,N-hexamethylphosphoric triamide at 65℃; for 5h;	11%
With sodium nitrite at 65℃; Product distribution; various sovents and reaction times;

: 74-98-6
propane

A: 79-46-9
2-nitropropane

B: 64-19-7
acetic acid

C: 108-03-2
1-Nitropropane

D: 67-64-1
acetone

Conditions

Conditions	Yield
With nitric acid; butyric acid In water at 220℃; under 73162.7 Torr; for 0.0333333h;

...Expand

: 67-64-1
acetone

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With ammonium hydroxide; dihydrogen peroxide In methanol at 70℃; under 760.051 Torr; Green chemistry; chemoselective reaction;	88 %Chromat.
With ammonium hydroxide; dihydrogen peroxide In methanol at 65 - 75℃; for 1h; Reagent/catalyst; Temperature; Green chemistry;

: 74-98-6
propane

A: 79-24-3
Nitroethane

B: 79-46-9
2-nitropropane

C: 64-19-7
acetic acid

D: 108-03-2
1-Nitropropane

E: 67-64-1
acetone

Conditions

Conditions	Yield
With nitric acid; propionic acid In water at 235℃; under 73162.7 Torr;

...Expand

: 67-64-1
acetone

A: 79-46-9
2-nitropropane

B: 127-06-0
acetone oxime

Conditions

Conditions	Yield
With ammonia; dihydrogen peroxide at 61.84℃; for 2h; chemoselective reaction;
With ammonia; dihydrogen peroxide In water at 70℃; for 8h; Temperature; Molecular sieve;

: 74-98-6
propane

A: 79-46-9
2-nitropropane

B: 108-03-2
1-Nitropropane

Conditions

Conditions	Yield
With nitric acid at 400℃;
With Nitrogen dioxide at 250 - 795℃;
With Nitrogen dioxide at 250℃;
With nitric acid In water at 285℃; under 72402.6 Torr; Product distribution / selectivity;

: 2973-10-6
diisopropyl sulfate

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With sodium nitrite at 60℃; under 0 Torr; for 48h;

: 80041-89-0
isopropylboronic acid

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With N-Bromosuccinimide; [bis(trifluoroacetoxy)iodo]benzene; sodium nitrite In acetonitrile at 20℃; for 3h; regioselective reaction;	74%

: 67-63-0
isopropyl alcohol

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With nitric acid In acetic acid at 15℃; for 0.5h;	90%

: 74-98-6
propane

A: 79-46-9
2-nitropropane

B: 64-19-7
acetic acid

C: 108-03-2
1-Nitropropane

Conditions

Conditions	Yield
With nitric acid In water at 285℃; under 72402.6 Torr; for 0.0425h; Product distribution / selectivity;
With nitric acid In water at 235℃; under 72402.6 Torr; for 0.0333333h;

...Expand

: 74-98-6
propane

A: 75-52-5
nitromethane

B: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With nitric acid; acetic acid In water at 235℃; under 88677.5 Torr; for 0.025h; Product distribution / selectivity;
With nitric acid; acetic acid In water at 235℃; under 73162.7 Torr; for 0.0333333h; Product distribution / selectivity;

: 74-98-6
propane

A: 79-46-9
2-nitropropane

B: 595-49-3
2,2-dinitropropane

C: 108-03-2
1-Nitropropane

Conditions

Conditions	Yield
With nitric acid In water at 235℃; under 72402.6 Torr; Product distribution / selectivity; 3 mm borosilicate glass balls packing;

...Expand

: 74-98-6
propane

A: 75-52-5
nitromethane

B: 79-46-9
2-nitropropane

C: 108-03-2
1-Nitropropane

D: 67-64-1
acetone

Conditions

Conditions	Yield
With nitric acid; acetic acid In water at 180℃; under 72402.6 Torr; for 0.0291667h; Product distribution / selectivity;

...Expand

: 127-06-0
acetone oxime

A: 79-46-9
2-nitropropane

B: 67-64-1
acetone

Conditions

Conditions	Yield
With ammonium hydroxide; dihydrogen peroxide In methanol at 70℃; under 760.051 Torr; Green chemistry; Overall yield = 91 %Chromat.; chemoselective reaction;

: 79-29-8
2,3-dimethylbutane

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With nitric acid at 380 - 430℃;

: 75-30-9
2-iodo-propane

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With silver(I) nitrite
With silver(I) nitrite In diethyl ether

: 21272-86-6
α-nitroisopropyl p-tolyl sulfone

A: 79-46-9
2-nitropropane

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

Conditions

Conditions	Yield
With sodium dithionite; potassium carbonate; 1,1′-dioctyl-4,4′-bipyridinium In dichloromethane; water at 35℃; for 3h;	A 65 % Spectr. B 10 % Spectr.

: 74-98-6
propane

A: 79-24-3
Nitroethane

B: 75-52-5
nitromethane

C: 79-46-9
2-nitropropane

D: 595-49-3
2,2-dinitropropane

E: 64-19-7
acetic acid

F: 108-03-2
1-Nitropropane

G: 67-64-1
acetone

Conditions

Conditions	Yield
With nitric acid In water at 285℃; under 73496.9 Torr; for 0.0425h; Product distribution / selectivity;

...Expand

: 75-30-9
2-iodo-propane

A: 541-42-4
i-propyl nitrite

B: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With silver(I) nitrite

: 75-26-3
isopropyl bromide

A: 541-42-4
i-propyl nitrite

B: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With silver(I) nitrite

: 5447-97-2
2-bromo-2-nitropropane

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In benzene for 8h; Mechanism; Irradiation;	66%

: 594-71-8
2-chloro-2-nitro-propane

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In benzene for 19h; Mechanism; Irradiation;	47%

: 41774-06-5
α-nitroisopropyl phenyl sulfone

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In acetonitrile for 70h; Mechanism; Irradiation;	32%
With N-benzyl-1,4-dihydronicotinamide In N,N-dimethyl-formamide for 6h; Ambient temperature; degassed;	95 % Chromat.

: 75-28-5
Isobutane

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With nitric acid at 380 - 430℃;

: 78-78-4
methylbutane

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With nitric acid at 380 - 430℃;

: 552-89-6
2-nitro-benzaldehyde

A: 79-46-9
2-nitropropane

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

C: 271-58-9
anthranil

Conditions

Conditions	Yield
With 2-bromo-2-nitropropane; zinc In methanol at 50℃; for 5h; Mechanism; Product distribution; investigation of reductive cyclizations of var. 2-nitrobenzaldehydes under var. conditions;	A n/a B n/a C 37%

...Expand

: 20846-00-8
2-nitro-propan-2-ide

: 7783-06-4
hydrogen sulfide

A: hydrgensulfide(1-)

B: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
equil. react.; HPMS experiment at 500 K;

...Expand

: 544-97-8
dimethyl zinc(II)

1.1-bromonitromethane: 1.1-bromonitromethane

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
With diethyl ether anschliessend Behandeln mit Wassser;

: 930-68-7
cyclohexenone

: 79-46-9
2-nitropropane

: 4908-50-3
(+/-)-3-(2-nitropropan-2-yl)cyclohexanone

Conditions

Conditions	Yield
With aluminum oxide; potassium fluoride In tetrahydrofuran for 2h;	100%
With 2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane 2,8,9-tris(1-methylethyl) In various solvent(s) at 20℃; for 0.5h; Michael addition;	99%
With potassium carbonate In neat (no solvent) at 60℃; for 4h; Temperature; Michael Addition;	88%
With N-benzyl-trimethylammonium hydroxide In ethanol Heating;
With 2,5-dimethyl-piperazine; rac-Pro-OH In tetrahydrofuran at 20℃; Michael addition;

: 82701-91-5
1,10-phenanthroline-5,6-dione

: 79-46-9
2-nitropropane

: 112881-55-7
2,2-dimethyl-1,3-dioxolo<4,5-f><1,7>phenanthroline

Conditions

Conditions	Yield
With tetramethyl ammoniumhydroxide In acetonitrile at 59.9℃; for 24h;	100%
With carbonate buffer (pH 9.5) In water; acetonitrile at 55℃; for 5h;	67%

: 84-12-8
phanquinone

: 79-46-9
2-nitropropane

: 2,2-Dimethyl-1,3-dioxa-4,11-diaza-cyclopenta[l]phenanthrene

Conditions

Conditions	Yield
With tetramethyl ammoniumhydroxide In acetonitrile for 24h; Heating;	100%

: 79-46-9
2-nitropropane

: 555-16-8
4-nitrobenzaldehdye

: 39220-93-4
2-methyl-2-nitro-1-(4-nitrophenyl)propan-1-ol

Conditions

Conditions	Yield
With polymer supported 4-DMAP at 20℃; for 0.583333h; Henry Nitro Aldol Condensation;	100%
With polystyryl-diphenylphosphine-ethyl acrylate complex In neat (no solvent) at 20℃; for 3h; Henry Nitro Aldol Condensation; Green chemistry;	91%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran for 4h; Alkylation;	87%
With triethylamine In chloroform at 24.84℃; for 3h; Henry reaction;	85%

: 79-46-9
2-nitropropane

: 25597-16-4, 91600-34-9, 406-10-0
ethyl 4,4,4-trifluorobut-2-enoate

: 638132-91-9
ethyl 3-(trifluoromethyl)-4-methyl-4-nitropentanoate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 6h;	100%

: 79-46-9
2-nitropropane

: 241818-88-2
5-hydroxyiminomethylbenzofuroxan

: 5-hydroxyiminomethyl-2,2-dimethyl-2Н-benzimidazole 1,3-dioxide

Conditions

Conditions	Yield
With piperidine In tetrahydrofuran at 20℃;	100%

: 15133-82-1
tetrakis(triphenylphosphine)nickel(0)

: 79-46-9
2-nitropropane

: 71928-74-0
C3H7NONi(P(C6H5)3)2

Conditions

Conditions	Yield
In benzene Kinetics; byproducts: P(C6H5)3, OP(C6H5)3; the soln. of Ni(PPh3)4/benzene was added to the soln. of i-PrNO2/benzene with stirring at under Ar, stirred for 1 h; evapd. in vac., washed with hot hexane, dried in vac.;	100%

: 79-46-9
2-nitropropane

: 623-05-2
(4-hydroxyphenyl)methanol

: 16066-97-0
1-nitro-1,1-dimethyl-2-(4-hydroxyphenyl]ethane

Conditions

Conditions	Yield
With potassium tert-butylate In diethylene glycol dimethyl ether at 20 - 137℃; for 6h;	99.6%
With potassium tert-butylate In diethylene glycol dimethyl ether Cooling with ice; Reflux;	83%
With tetrabutyl ammonium fluoride at 130℃; for 15h;	73%

: 87-52-5
3-(Dimethylaminomethyl)indole

: 79-46-9
2-nitropropane

: 835-40-5
3-(2,2-dimethyl-2-nitroethyl)-1H-indole

Conditions

Conditions	Yield
With tributylphosphine In acetonitrile for 4h; Heating;	99.1%
With sodium hydroxide at 130℃;	93%
With sodium hydroxide for 18h; Heating;	70%
With sodium hydroxide for 18h; Reflux;

: 141-79-7
4-methyl-pent-3-en-2-one

: 79-46-9
2-nitropropane

: 4538-83-4
4,4,5-trimethyl-5-nitro-2-hexanone

Conditions

Conditions	Yield
With 2,8,9-tris(2-methylpropyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane In various solvent(s) at 20℃; for 0.33h; Michael addition;	99%
With N,N',N''-tris(p-tolyl)azacalix[3](2,6)(4-pyrrolidinopyridine) for 12h; Inert atmosphere; Reflux;	88%
With sodium In isopropyl alcohol for 336h; Reflux;	13%

: 111-71-7
heptanal

: 79-46-9
2-nitropropane

: 80379-17-5
2-methyl-2-nitro-3-nonanol

Conditions

Conditions	Yield
With P(i-PrNCH2CH2)3N; magnesium sulfate for 1.5h; Ambient temperature;	99%
With tetrabutyl ammonium fluoride; tert-butyldimethylsilyl chloride; triethylamine In tetrahydrofuran for 0.0833333h;	91%
With Amberlyst A-21 for 7h;	80%
With methanol; sodium hydroxide

: 79-46-9
2-nitropropane

: 78-94-4
methyl vinyl ketone

: 4604-49-3
5-methyl-5-nitrohexan-2-one

Conditions

Conditions	Yield
With 2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane 2,8,9-tris(1-methylethyl) In various solvent(s) at 20℃; for 0.25h; Michael addition;	99%
With sodium methylate In methanol	92%
With triethylamine at 20℃; for 5h; Michael reaction;	82%

: 79-46-9
2-nitropropane

: 80-62-6
methacrylic acid methyl ester

: 5762-40-3
methyl 2,4-dimethyl-4-nitro-pentanoate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 50℃; for 22.66h; Inert atmosphere; Large scale;	99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 50℃; for 22.66h; Large scale;	99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 50℃; for 22.66h; Inert atmosphere; Large scale;	99%

: 79-46-9
2-nitropropane

: 141-32-2
acrylic acid n-butyl ester

: 91017-54-8
4-Methyl-4-nitro-pentanoic acid butyl ester

Conditions

Conditions	Yield
With aluminum oxide; potassium fluoride In tetrahydrofuran for 2h;	99%

: 79-46-9
2-nitropropane

: 139029-62-2
5-nitro-6-chloromethylimidazo<2,1-b>thiazole

: 139029-63-3
5-nitro-6-isopropylidenemethylimidazo<2,1-b>thiazole

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In dichloromethane; water for 24h;	99%

: 158369-38-1
[Co(cp)(η-4-C5H5)]2(μ-O-exo)

: 79-46-9
2-nitropropane

: 158369-40-5
[Co(cp)(η-4-C5H5)](CMe2NO2-exo)

Conditions

Conditions	Yield
In not given absence of oxygen and moisture; dissoln. of Co-complex in i-PrNO2 (stirring); volume reduction, crystn. on cooling to -20°C;	99%

: 3988-74-7, 42811-81-4, 69656-34-4
1-(2-furyl)-3-phenylpropen-1-one

: 79-46-9
2-nitropropane

: 403706-60-5
(S)-1-(furan-2-yl)-4-methyl-4-nitro-3-phenylpentan-1-one

Conditions

Conditions	Yield
With 2Br(1-)*C90H68F24N2(2+); potassium carbonate In toluene at -20℃; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	99%

: 79-46-9
2-nitropropane

: 94-41-7
benzalacetophenone

: 3-(S)-4-methyl-4-nitro-1,3-diphenylpentan-1-one

Conditions

Conditions	Yield
With 2Br(1-)*C90H68F24N2(2+); potassium carbonate In toluene at -20℃; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	99%
With C19H30N2; N-tert-butoxycarbonyl-L-phenylalanine In chloroform at 25℃; for 96h; Michael Addition; enantioselective reaction;	76%
With 4-nitro-phenol; C15H23N3 In dichloromethane at 20℃; for 96h; Michael reaction; optical yield given as %ee; enantioselective reaction;	62%

: 79-46-9
2-nitropropane

: 956-02-5
4'-chlorochalcone

: (S)-1-(4-chlorophenyl)-4-methyl-4-nitro-3-phenylpentan-1-one

Conditions

Conditions	Yield
With 2Br(1-)*C90H68F24N2(2+); potassium carbonate In toluene at -20℃; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	99%

: 79-46-9
2-nitropropane

: 959-23-9
4'-methoxychalcone

: (S)-1-(4-methoxyphenyl)-4-methyl-4-nitro-3-phenylpentan-1-one

Conditions

Conditions	Yield
With 2Br(1-)*C90H68F24N2(2+); potassium carbonate In toluene at 0℃; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	99%

: 3160-40-5
4-(4-chlorophenyl)-3-buten-2-one

: 79-46-9
2-nitropropane

: (S)-4-(4-chlorophenyl)-5-methyl-5-nitrohexan-2-one

Conditions

Conditions	Yield
With 4-nitro-phenol; C15H23N3 In dichloromethane at 20℃; for 24h; Michael reaction; optical yield given as %ee; enantioselective reaction;	99%
With C19H30N2; N-tert-butoxycarbonyl-L-phenylalanine In chloroform at 25℃; for 48h; Michael Addition; enantioselective reaction;	96%

: 79-46-9
2-nitropropane

: 122-57-6
1-Phenylbut-1-en-3-one

: (S)-5-methyl-5-nitro-4-phenylhexan-2-one

Conditions

Conditions	Yield
With 9-epi-9-amino-9-deoxyquinine; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; benzoic acid at 40℃; for 24h; Michael Addition; enantioselective reaction;	99%
With C19H30N2; N-tert-butoxycarbonyl-L-phenylalanine In chloroform at 25℃; for 48h; Michael Addition; enantioselective reaction;	96%
With C20H25N3O In tetrahydrofuran at 20℃; for 120h; Michael Addition; enantioselective reaction;	49%

: 79-46-9
2-nitropropane

: 35233-69-3
d8-methyl methacrylate

: methyl-d3 4-methyl-2-(methyl-d3)-4-nitropentanoate-3,3-d2

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 20 - 40℃; for 16h; Inert atmosphere;	99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 20 - 80℃; for 20h;	99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 20 - 80℃; for 20h;	99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 20 - 80℃; for 20h;	99%

: 79-46-9
2-nitropropane

: 50415-59-3
methyl 2-(4-chlorophenyl)acrylate

: 1001123-94-9
methyl 2-(4-chlorophenyl)-4-methyl-4-nitropentanoate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 0 - 20℃;	98.7%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 0 - 20℃;	98.66%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 0 - 20℃;	98.66%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 0 - 20℃;	98.66%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 0 - 20℃; for 12h; Michael condensation;

: 110-89-4
piperidine

: 50-00-0
formaldehyd

: 79-46-9
2-nitropropane

: 17697-46-0
1,1-Dimethyl-1-nitro-2-piperidinoethan

Conditions

Conditions	Yield
In water at 50℃; for 1h; Mannich reaction;	98%
With sodium hydroxide at 50℃; for 2h; Cooling with ice;	61%
With 1,4-dioxane; sodium hydroxide Anschliessendes Erwaermen.;

...Expand

: 79-46-9
2-nitropropane

: 94-41-7
benzalacetophenone

: 20894-11-5
4-methyl-4-nitro-1,3-diphenylpentan-1-one

Conditions

Conditions	Yield
With potassium fluoride In ethanol at 20℃; for 4h; Addition;	98%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile for 12h; Ambient temperature;	95%
With methyl-4,6-O-benzylidene-2,3-dideoxy-α-D-glucopyranosido[2,3-h]-N-((3-(3-phenyl)thiocarbamido))propyl-1,4,7,10-tetraoxa-13-azacyclopentadecane; sodium t-butanolate In toluene at 20℃; Michael Addition; Inert atmosphere;	10%
With methanol; sodium methylate
With sodium ethanolate In ethanol

: 79-46-9
2-nitropropane

: 1896-62-4
(E)-benzalacetone

: 20894-13-7
(+/-)-5-methyl-5-nitro-4-phenylhexan-2-one

Conditions

Conditions	Yield
With 2-tert-butylimino-2-diethylamino-1,3-dimethylperhydro-1,3, 2-diazaphosphorine supported on polystyrene at 30℃; for 20h; Michael condensation;	98%
With Rasta resin-supported 1,5,7-triazabicyclo[4.4.0]dec-5-ene at 60℃; for 30h; Michael addition reaction;	90%
With potassium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 30℃; for 10h; Michael reaction; ultrasonic irradiation;	80%

: 79-46-9
2-nitropropane

: 20451-53-0
Phenyl vinyl sulfoxide

: 61174-01-4
3-methyl-3-nitro-1-(phenylsulfinyl)-butane

Conditions

Conditions	Yield
With potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride at 20℃; for 1h;	98%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile for 24h; Ambient temperature;	95%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile Ambient temperature;	95%

: 79-46-9
2-nitropropane

: 80670-36-6
3-diazo-5-phenyl-3H-1,2,4-triazole

A: 100-47-0
benzonitrile

B: 127-06-0
acetone oxime

Conditions

Conditions	Yield
at 80℃; Yields of byproduct given;	A n/a B 98%

...Expand

: 79-46-9
2-nitropropane

: 35356-70-8
Methyl 2-acetamidoacrylate

: methyl 2-acetylamino-4-methyl-4-nitropentanoate

Conditions

Conditions	Yield
With N-benzyl-trimethylammonium hydroxide In methanol for 0.0333333h; microwave irradiation;	98%
With tetrabutyl ammonium fluoride In toluene for 66h; Ambient temperature; 1.) 10 min, 2.) 40-50 deg C, overnight;	76%

2-Nitropropane Chemical Properties

Chemistry informtion about 2-Nitropropane (CAS NO.79-46-9) is:
IUPAC Name: 2-Nitropropane
Synonyms: 2-Nitro-Propan ; B-Nitropropane ; Dimethylnitromethane ; I-C3h7no2 ; Nipar S-20 ; Nipar S-20 Solvent ; Nipar S-30 Solvent ; Nipars-20
Product Categories: Organics ; Nitro Compounds ; Nitrogen Compounds ; Organic Building Blocks
MF: C₇H₇NO
MW: 121.14
EINECS: 210-261-4
Density: 0.976 g/cm³
Melting Point: -93 °C
Flash Point: 31.3 °C
Boiling Point: 121.2 °C at 760 mmHg
Vapour Pressure: 14.7 mmHg at 25°C
Enthalpy of Vaporization: 35.93 kJ/mol
Refractive index n20/D 1.394(lit.)
Storage temp.: Flammables area
Water Solubility: 1.7 g/100 mL (20 ºC)
Merck: 6628
Stability: Stable. Incompatible with strong oxidizing agents, strong bases, copper.
Following is the molecular structure of 2-Nitropropane (CAS NO.79-46-9) is:

2-Nitropropane Uses

2-Nitropropane (CAS NO.79-46-9) is used for a variety of resins, waxes, fats, dyes and paint solvents, synthetic medicine, pesticide intermediates, etc.

2-Nitropropane Production

Preparation Products are Propylamine-->9,10-Anthracenedicarboxaldehyde-->Nitroethane-->N-Isopropylhydroxylamine Hydrochloride-->1-Nitropropane -->2-Amino-2-Methyl-1-Propanol-->Methyl 4-Formylbenzoate
Raw Materials are Nitric Acid-->Nitromethane-->Nitroethane-->1-Nitropropane

2-Nitropropane Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LCLo	inhalation	714ppm/5H (714ppm)	sense organs and special senses: lacrimation: eye lungs, thorax, or respiration: dyspnea gastrointestinal: changes in structure or function of salivary glands	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952.
guinea pig	LCLo	inhalation	4622ppm/5H (4622ppm)	behavioral: convulsions or effect on seizure threshold lungs, thorax, or respiration: dyspnea lungs, thorax, or respiration: cyanosis	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952.
man	TCLo	inhalation	20ppm (20ppm)	behavioral: anorexia (human gastrointestinal: "hypermotility, diarrhea" gastrointestinal: nausea or vomiting	Industrial Medicine. Vol. 16, Pg. 441, 1947.
mouse	LC50	inhalation	10gm/m3/2H (10000mg/m3)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 94, 1982.
mouse	LD50	intraperitoneal	75mg/kg (75mg/kg)		National Technical Information Service. Vol. AD691-490,
rabbit	LCLo	inhalation	2381ppm/5H (2381ppm)	behavioral: convulsions or effect on seizure threshold lungs, thorax, or respiration: cyanosis lungs, thorax, or respiration: dyspnea	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952.
rabbit	LDLo	oral	500mg/kg (500mg/kg)	behavioral: somnolence (general depressed activity) lungs, thorax, or respiration: respiratory stimulation behavioral: ataxia	Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rat	LC50	inhalation	400ppm/6H (400ppm)		Journal of Environmental Pathology and Toxicology. Vol. 2(5), Pg. 233, 1979.
rat	LD50	oral	720mg/kg (720mg/kg)		"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 430, 1969.
rat	LDLo	intraperitoneal	1100mg/kg (1100mg/kg)	blood: methemoglobinemia-carboxyhemoglobin	Bulletin de la Societe de Pharmacie de Lille. Vol. (2), Pg. 83, 1972.

2-Nitropropane Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 29 ,1982,p. 331.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 29 ,1982,p. 331.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Community Right-To-Know List. EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

2-Nitropropane Safety Profile

Confirmed carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Poison by intraperitoneal route. Moderately toxic by ingestion and inhalation. Human systemic effects by inhalation: anorexia, hypermotility, diarrhea, nausea or vomiting. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. Can cause liver and kidney injury, methemoglobinemia, and cyanosis. Very dangerous fire hazard when exposed to heat, open flame, or oxidizers. May explode on heating. Violent reactions with chlorosulfonic acid, oleum. May react with amines + heavy metal oxides (e.g., mercury oxide or silver oxide) to form explosive salts. May ignite on contact with mixtures of carbon + hopcalite, which are used in some respirators. Hopcalite is a catalyst consisting of coprecipitated copper(II) oxide and manganese(IV) oxide. To fight fire, use alcohol foam, CO₂, dry chemical, water spray. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes:
Toxic T
Risk Statements:
R45:May cause cancer.
R10:Flammable.
R20/22:Harmful by inhalation and if swallowed.
Safety Statements:
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2608 3/PG 3
WGK Germany: 3
RTECS: TZ5250000
HazardClass: 3.2
PackingGroup: III
HS Code: 29042000

2-Nitropropane Standards and Recommendations

OSHA PEL: TWA 10 ppm
ACGIH TLV: TWA 10 ppm; Animal Carcinogen
DFG MAK: DFG TRK: Animal Carcinogen, Suspected Human Carcinogen
NIOSH REL: (2-Nitropropane) TWA reduce to lowest feasible level
DOT Classification: 3; Label: Flammable Liquid

2-Nitropropane Analytical Methods

For occupational chemical analysis use OSHA: #46 or NIOSH: 2-Nitropropane, 2528.

2-Nitropropane Specification

2-Nitropropane (CAS NO.79-46-9) is colorless liquid with a mild fruity odor. It may float on or sink in water.It is highly flammable.It is sensitive to heat. Can react with amines/heavy metal oxides, strong acids, strong alkalis, and chlorosulfonic acid. . The heat of adsorption of 2-Nitropropane on carbon, such as that found in cartridge respirators, is extremely high. Metal oxide catalysts, such as copper oxide or manganese oxide, can initiate ignition, therefore carbon respirators should not be used in environments that have a high vapor concentration of 2-Nitropropane.It causes respiratory tract irritation, headache, dizziness, nausea, and diarrhea. Ingestion causes irritation of mouth and stomach. Contact with liquid irritates eyes and causes mild irritation of skin. Toxic oxides of nitrogen may form in fire.

Product Name

2-Nitropropane

Synthetic route

2-Nitropropane Chemical Properties

2-Nitropropane Uses

2-Nitropropane Production

2-Nitropropane Toxicity Data With Reference

2-Nitropropane Consensus Reports

2-Nitropropane Safety Profile

2-Nitropropane Standards and Recommendations

2-Nitropropane Analytical Methods

2-Nitropropane Specification

Related Products

Hot Products