Isopropyl nitrite supplier

Name
Isopropyl nitrite
EINECS 208-779-0
CAS No. 541-42-4
Article Data33
CAS DataBase
Density 1.02 g/cm³
Solubility
Melting Point 134-139?°C(lit.)
Formula C₃H₇NO₂
Boiling Point 39 °C at 760 mmHg
Molecular Weight 89.0941
Flash Point -37℃
Transport Information
Appearance Gray yellow oily liquid
Safety 17-26-36/37/39-45
Risk Codes 8-11-23/24/25-36/37/38
Molecular Structure
Hazard Symbols O,T
Synonyms Nitrous acid,1-methylethyl ester;Nitrous acid, isopropyl ester (8CI);
PSA 38.66000
LogP 1.09280

Synthetic route

: 67-63-0
isopropyl alcohol

: 541-42-4
i-propyl nitrite

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite In dichloromethane; water at 15℃; for 1h;	84%
With nitrogen(II) oxide; Nitrogen dioxide at -5 - 30℃; for 0.5 - 1.5h; Product distribution / selectivity;	52%
With tert.-butylnitrite In chloroform at 26℃; Equilibrium constant;

: 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

: 996-30-5
isobutyric acid sodium salt

: 541-42-4
i-propyl nitrite

Conditions

Conditions	Yield
With sodium nitrate; sodium carbonate Electrolysis.an einer Platinanode;

: 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

: 74-98-6
propane

A: 541-42-4
i-propyl nitrite

B: 543-67-9
n-propyl nitrite

C: 1712-64-7
isopropyl nitrate

D: 627-13-4
propyl nitrate

E: 79-46-9
2-nitropropane

F: 108-03-2
1-Nitropropane

Conditions

Conditions	Yield
With dihydrogen peroxide; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various pressure and carrier-gas composition;	A 12 % Chromat. B 7 % Chromat. C 16 % Chromat. D 5 % Chromat. E 46 % Chromat. F 14 % Chromat.

...Expand

: 74-98-6
propane

A: 541-42-4
i-propyl nitrite

B: 1712-64-7
isopropyl nitrate

C: 627-13-4
propyl nitrate

D: 79-46-9
2-nitropropane

E: 108-03-2
1-Nitropropane

F: 67-64-1
acetone

Conditions

Conditions	Yield
With dihydrogen peroxide; oxygen; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various O2 concn.;

...Expand

: 540-80-7
tert.-butylnitrite

: 67-63-0
isopropyl alcohol

A: 541-42-4
i-propyl nitrite

B: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In chloroform at 25℃; Equilibrium constant;

...Expand

: 75-52-5
nitromethane

: 67-63-0
isopropyl alcohol

A: 76-09-5
2,3-dimethyl-2,3-butane diol

B: 541-42-4
i-propyl nitrite

C: 2717-67-1, 17606-84-7, 37765-15-4
cis nitrosomethane dimer

D: 2717-67-1, 17606-84-7, 37765-15-4
trans-nitrosomethane dimer

E: 67-64-1
acetone

F: 2-hydroxy-2-propyl-azodioxymethane

Conditions

Conditions	Yield
at 18℃; Product distribution; Mechanism; Quantum yield; Irradiation; var. wavelenghts, var. irradiation time;

...Expand

: 624-91-9
methyl nitrite

: 67-63-0
isopropyl alcohol

A: 67-56-1
methanol

B: 541-42-4
i-propyl nitrite

Conditions

Conditions	Yield
In acetonitrile at 25℃; Equilibrium constant;

...Expand

: 3958-66-5
2-propoxy radical

: 541-42-4
i-propyl nitrite

Conditions

Conditions	Yield
With nitrogen(II) oxide at 288℃; under 50 Torr; Kinetics; Further Variations:; Temperatures; Pressures; Addition; Photolysis;

: 75-26-3
isopropyl bromide

silver nitrite: silver nitrite

A: 541-42-4
i-propyl nitrite

B: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
Product distribution;

...Expand

: 119-61-9
benzophenone

: 67-63-0
isopropyl alcohol

nitrogen monooxide: nitrogen monooxide

A: 541-42-4
i-propyl nitrite

B: 67-64-1
acetone

C nitrogen: nitrogen

D dinitrogen monooxide: dinitrogen monooxide

Conditions

Conditions	Yield
at 25℃; bei der Einw. von UV-Licht (λ= 366 nm).Irradiation;

...Expand

: 75-30-9
2-iodo-propane

silver nitrite: silver nitrite

A: 541-42-4
i-propyl nitrite

B: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
Product distribution;

...Expand

: 541-42-4
i-propyl nitrite

: 91-88-3
N-ethyl-N-(2-hydroxyethyl)-3-methylaniline

: 25646-77-9
2-[(4-amino-3-methylphenyl)(ethyl)amino]ethanol sulfate

Conditions

Conditions	Yield
With sulfuric acid; palladium-carbon In ethanol; isopropyl alcohol	100%

: 541-42-4
i-propyl nitrite

: 5419-55-6
Triisopropyl borate

: 583-68-6
2-bromo-p-toluidine

A 2-bromo-4-methylbenzenediazonium tetrafluoborate: 2-bromo-4-methylbenzenediazonium tetrafluoborate

B: 452-62-0
3-bromo-4-fluorotoluene

Conditions

Conditions	Yield
With hydrogen fluoride In isopropyl alcohol	A n/a B 92.4%

...Expand

: 541-42-4
i-propyl nitrite

: 67-64-1
acetone

Conditions

Conditions	Yield
With dimethyl sulfoxide at 70℃; for 6h;	85.44%

: 541-42-4
i-propyl nitrite

: 182268-24-2
(-)-(6S,7R)-3-methyl-8-oxo-7-phenoxyacetamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 91-00-9
Benzhydrylamine

: Diphenylmethyl 3-methyl-7β-phenoxyacetamidoceph-3-em-4-carboxylate

Conditions

Conditions	Yield
In ethyl acetate; acetonitrile	82.6%

...Expand

: 10026-04-7, 53609-55-5
tetrachlorosilane

: 541-42-4
i-propyl nitrite

: 1992-48-9
Tetraisopropoxysilan

Conditions

Conditions	Yield
at 20-25°C;;	80%
at 20-25°C;;	80%

: 541-42-4
i-propyl nitrite

: 98-86-2
acetophenone

: 532-54-7
oxo-phenyl-acetaldehyde oxime

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether Reflux;	78.2%

: 541-42-4
i-propyl nitrite

: 118-92-3
anthranilic acid

: 51-36-5
3,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With chlorine In hydrogenchloride; ethanol; water	75%

: 541-42-4
i-propyl nitrite

: 1218942-58-5
2-(2-alyloxyphenyl)-4,4,5-trimethyl-4H-imidazol-3-oxide

: 1218942-60-9
4,4-dimethyl-2-(2-allyloxyphenyl)-5-carbaldoxime-4H-imidazole-3-oxide

Conditions

Conditions	Yield
With sodium isopropylate In isopropyl alcohol at 20℃; for 24h;	75%

: cephalothin

: 541-42-4
i-propyl nitrite

: 91-00-9
Benzhydrylamine

: Diphenylmethyl 3-acetoxymethyl-7β-(2-Thienylacetamido)ceph-3-em-4-carboxylate

Conditions

Conditions	Yield
In chloroform; ISOPROPYLAMIDE; acetonitrile	73.5%

...Expand

: 541-42-4
i-propyl nitrite

: 99-90-1
para-bromoacetophenone

: 7733-43-9
α-chloro-α-isonitroso-4-bromoacetophenone

Conditions

Conditions	Yield
With hydrogenchloride	65%

: 541-42-4
i-propyl nitrite

: 98-86-2
acetophenone

: 4937-87-5
N-hydroxy-2-oxo-2-phenylethanimidoyl chloride

Conditions

Conditions	Yield
With hydrogenchloride	52%

: 541-42-4
i-propyl nitrite

: 100-06-1
1-(4-methoxyphenyl)ethanone

: 33108-93-9
α-chloro-α-oximino-p-methoxyacetophenone

Conditions

Conditions	Yield
With hydrogenchloride	51%

: cephalothin

: 617-89-0
furan-2-ylmethanamine

: 541-42-4
i-propyl nitrite

: 2-Furylmethyl 3-acetoxymethyl-7β-(2-thienylacetamido) ceph-3-em-4-carboxylate

Conditions

Conditions	Yield
In ISOPROPYLAMIDE; ethyl acetate; acetonitrile	46%

...Expand

: 88-15-3
2-Acetylthiophene

: 541-42-4
i-propyl nitrite

: 67-63-0
isopropyl alcohol

A: 1956-45-2, 92313-45-6, 92313-54-7
2-acetylthiophene oxime

B: 113311-42-5
2-(2,2-diisopropoxyacetyl)thiophene

Conditions

Conditions	Yield
With hydrogenchloride at 70℃; for 1.5h;	A n/a B 25%

...Expand

: 541-42-4
i-propyl nitrite

: 100-19-6
(4-nitrophenyl)ethanone

: 7733-42-8
4-Nitro-α-chlor-α-isonitroso-acetophenon

Conditions

Conditions	Yield
With hydrogenchloride	18%

: 541-42-4
i-propyl nitrite

: 3299-38-5
4-(diethylamino)butan-2-one

: 2840-06-4
1-diethylamino-butane-2,3-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride; isopropyl alcohol at 30 - 35℃;

: 541-42-4
i-propyl nitrite

: 3299-38-5
4-(diethylamino)butan-2-one

: 1-diethylamino-butane-2,3-dione-2-((E)-oxime ); hydrobromide

Conditions

Conditions	Yield
With hydrogen bromide; isopropyl alcohol

: 541-42-4
i-propyl nitrite

: 14927-64-1
3,5,6,7-tetrahydro-2H-s-indacen-1-one

: 117311-11-2
3,5,6,7-tetrahydro-s-indacene-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride

: 541-42-4
i-propyl nitrite

: 90226-41-8
4-diethylaminobutan-3-one

: 52900-90-0
1-diethylamino-butane-2,3-dione-2-((E)-oxime ); hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; isopropyl alcohol

: 541-42-4
i-propyl nitrite

: 109341-49-3
2,3-dihydro-1H-cyclopenta[b]naphthalen-1-one

: 109726-08-1
3H-cyclopenta[b]naphthalene-1,2-dione-2-oxime

: 541-42-4
i-propyl nitrite

: 10557-57-0
propylmagnesium iodide

: 7446-43-7
N,N-di-n-propylhydroxylamine

Conditions

Conditions	Yield
With diethyl ether und Zers. des Reaktionsproduktes mit Eiswasser;

: 541-42-4
i-propyl nitrite

: 4773-13-1
diisopropyl sulfite

Conditions

Conditions	Yield
With thionyl chloride at 25℃;

: 541-42-4
i-propyl nitrite

: 1992-48-9
Tetraisopropoxysilan

Conditions

Conditions	Yield
With tetrachlorosilane at 20 - 25℃;

: 541-42-4
i-propyl nitrite

: 2717-67-1, 17606-84-7, 37765-15-4
trans-nitrosomethane dimer

Conditions

Conditions	Yield
at 320℃; durch termische Zersetzung; cis-dimethyl-diazene dioxide;
Irradiation.mit UV-Licht; trans-dimethyl-diazene dioxide;

: 541-42-4
i-propyl nitrite

: 79-46-9
2-nitropropane

Conditions

Conditions	Yield
beim Erhitzen;
at 125 - 130℃;

: 541-42-4
i-propyl nitrite

A: 865-40-7
nitrosomethane

B: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
mit dem vollen Licht der Quarzquecksilberlampe.Irradiation;

: 541-42-4
i-propyl nitrite

A: 75-07-0
acetaldehyde

B: 67-64-1
acetone

Conditions

Conditions	Yield
at 230℃;

: 541-42-4
i-propyl nitrite

: 182246-48-6
piperonyl-malonic acid

: 114306-04-6
3-benzo[1,3]dioxol-5-yl-2-hydroxyimino-propionic acid

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether

Isopropyl nitrite Consensus Reports

Reported in EPA TSCA Inventory.

Isopropyl nitrite Standards and Recommendations

Environmental standards :
former Soviet air workshop harmful substances maximum allowable concentration 1mg/m³

Isopropyl nitrite Specification

The Isopropyl nitrite, with the CAS registry number 541-42-4,is also known as Nitrous acid 1-methylethyl ester; Nitrous acid isopropyl ester. It belongs to the product categories of Organic matters. Its EINECS number is 208-779-0. This chemical's molecular formula is C₃H₇NO₂ and molecular weight is 89.09. What's more,Its systematic name is Isopropyl nitrite. It can be used as fuel and the industry for the synthesis of organic intermediates.

Physical properties about Isopropyl nitrite are:
(1)ACD/LogP: 1.066; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.80; (6)ACD/BCF (pH 7.4): 3.80; (7)ACD/KOC (pH 5.5): 90.54; (8)ACD/KOC (pH 7.4): 90.54; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 21.291 cm³; (14)Molar Volume: 86.937 cm³; (15)Surface Tension: 27.8570003509521 dyne/cm; (16)Density: 1.025 g/cm³; (17)Flash Point: -36.829 °C; (18)Enthalpy of Vaporization: 27.188 kJ/mol; (19)Boiling Point: 39.027 °C at 760 mmHg; (20)Vapour Pressure: 458.158996582031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=NOC(C)C;
(2)Std. InChI:InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3;
(3)Std. InChIKey:SKRDXYBATCVEMS-UHFFFAOYSA-N.

The toxicity data of Isopropyl nitrite are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	2800mg/m3 (2800mg/m3)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(10), Pg. 29, 1966.
rat	LC50	inhalation	1250mg/m3/4H (1250mg/m3)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 79, 1982.

Product Name

Isopropyl nitrite

Synthetic route

Isopropyl nitrite Consensus Reports

Isopropyl nitrite Standards and Recommendations

Isopropyl nitrite Specification

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