Ethyl nitrate supplier | CasNO.625-58-1

Name
Ethyl nitrate
EINECS 210-903-3
CAS No. 625-58-1
Article Data60
CAS DataBase
Density 1.128g/cm³
Solubility
Melting Point -94.59°C
Formula C2H5 N O3
Boiling Point 86.2°C at 760 mmHg
Molecular Weight 91.0666
Flash Point 33.5°C
Transport Information
Appearance
Safety A poison by intraperitoneal route. Mutation data reported. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. A moderate explosion hazard when exposed to heat (explodes @ 185°F). To fight fire, use foam, CO₂, dry chemical, water to blanket fire. Incompatible with Lewis acids. When heated to decomposition it emits toxic fumes of NO_x. See also NITRATES and ESTERS.
Risk Codes 2
Molecular Structure
Hazard Symbols Flammable, dangerous, fire and explosion risk.
Synonyms Ethylnitrate;NSC 8826;Ethyl nitrate;
PSA 55.05000
LogP 0.73780

Synthetic route

: 762-04-9
phosphonic acid diethyl ester

A: 625-58-1
ethyl nitrate

B: C2H6O3P(1-)*Ca(2+)*NO3(1-)

Conditions

Conditions	Yield
With calcium(II) nitrate at 115℃; for 1h; Product distribution; oter time;	A n/a B 91%
With calcium(II) nitrate at 115℃;	A n/a B 91%

: 64-17-5
ethanol

: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
With potassium fluoride; nitrylfluoride In acetonitrile at -30 - -20℃;	89.4%
With nitronium tetrafluoborate
With nitric acid

: 84051-79-6
1,1,1-Trimethylolethane dinitrate

A: 3143-02-0
3-hydroxymethyl-3-methyloxethane

B: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

C: 625-58-1
ethyl nitrate

D: 84051-80-9
1,1,1-Trimethylolethane mononitrate

E: 84051-81-0
3-methyl-3-(nitroxymethyl)oxetane

F NO2- (5.2percent), NO3-: NO2- (5.2percent), NO3-

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 55℃; for 3.10833h; Product distribution; Rate constant; var. NaOH conc.;	A 13% B 0.7% C n/a D 24% E 66% F n/a

...Expand

: 67-56-1
methanol

: 2-ethoxy-1-phenylazo-naphthalene; dinitrate

A: 625-58-1
ethyl nitrate

B: 842-07-9
Sudan I

...Expand

: 109-95-5
ethyl nitrite

: 3031-74-1
ethyl hydroperoxide

: 625-58-1
ethyl nitrate

: 64-17-5
ethanol

: 6786-32-9
benzoyl nitrate

A: 625-58-1
ethyl nitrate

B: 65-85-0
benzoic acid

...Expand

: 3031-74-1
ethyl hydroperoxide

: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
With cis-nitrous acid

: 75-03-6
ethyl iodide

: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
With silver nitrate In ethanol at 20℃; Product distribution; Mechanism; var. salt conc.;
With silver nitrate

: 3031-74-1
ethyl hydroperoxide

: 110-46-3
isopentyl nitrite

A: 625-58-1
ethyl nitrate

B: 123-51-3
i-Amyl alcohol

...Expand

: 3031-74-1
ethyl hydroperoxide

: 110-46-3
isopentyl nitrite

A: 625-58-1
ethyl nitrate

B: 71-41-0
pentan-1-ol

...Expand

: 69153-14-6
ethyl-nitro-amine; ammonium salt

: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
With nitrylfluoride In acetonitrile

: 2154-50-9
ethoxy radical

: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
With Nitrogen dioxide at 21.9℃; Rate constant; Kinetics; different pressure; different diluent gases;

: 3032-55-1
trimethylolethane trinitrate

A: 625-58-1
ethyl nitrate

B: 84051-80-9
1,1,1-Trimethylolethane mononitrate

C: 84051-79-6
1,1,1-Trimethylolethane dinitrate

D: 84051-81-0
3-methyl-3-(nitroxymethyl)oxetane

Conditions

Conditions	Yield
With sodium hydroxide In ethanol Heating;	A n/a B 15.7 % Chromat. C 2.5 % Chromat. D 42 % Chromat.

...Expand

: 74-84-0
ethane

A: 79-24-3
Nitroethane

B: 109-95-5
ethyl nitrite

C: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
With dihydrogen peroxide; boric acid; Nitrogen dioxide under 300.02 Torr; Yield given. Yields of byproduct given;
With dihydrogen peroxide; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Kinetics; Product distribution; Mechanism; boric-acid-coated surface; various temp.;
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 50 % Chromat. B 3 % Chromat. C 45 % Chromat.
With dihydrogen peroxide; boric acid; Nitrogen dioxide under 300.02 Torr; Product distribution; Mechanism;

...Expand

: 74-84-0
ethane

: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
With nitrate radical Thermodynamic data; Mechanism; calculated (BEBO and equibonding method) activation energies for hydrogen atom transfer reaction, anodic nitrooxylation;
With methyl nitrite; ultra-zero air; nitrogen(II) oxide at 25.9℃; for 0.333333h; Product distribution; Rate constant; Irradiation; other alkylperoxy radical generator (Cl2);

: 74-84-0
ethane

A: 79-24-3
Nitroethane

B: 625-58-1
ethyl nitrate

C: 75-07-0
acetaldehyde

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

: 17950-40-2
triethyloxonium hexaflourophosphate

: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
With silver nitrate In ethanol at 0℃; Product distribution; Mechanism; var. of reagent, its conc.;

: 590-86-3
isovaleraldehyde

A: 625-58-1
ethyl nitrate

B: 543-29-3
isobutyl nitrate

C: 2278-22-0
peroxyacetyl nitrate

D: 154292-38-3
3-methylbutyryl peroxynitrate

Conditions

Conditions	Yield
With air; nitrogen(II) oxide Nitration; sunlight; Title compound not separated from byproducts;

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: silver nitrate

: 75-03-6
ethyl iodide

: 625-58-1
ethyl nitrate

: 7697-37-2
nitric acid

: 122-51-0
orthoformic acid triethyl ester

A: 64-18-6
formic acid

B: 625-58-1
ethyl nitrate

...Expand

: 64-17-5
ethanol

: silver nitrate

: 75-03-6
ethyl iodide

A: 60-29-7
diethyl ether

B: 625-58-1
ethyl nitrate

...Expand

: 122-51-0
orthoformic acid triethyl ester

nitrous acid anhydride: nitrous acid anhydride

A: 625-58-1
ethyl nitrate

B: 109-94-4
formic acid ethyl ester

...Expand

: 67-66-3
chloroform

: 10544-72-6
dinitrogen tetraoxide

: 109-90-0
ethyl isocyanate

A: 625-58-1
ethyl nitrate

B: 74-85-1
ethene

C: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

D nitrogen: nitrogen

...Expand

: 106-97-8
n-butane

A: 625-58-1
ethyl nitrate

B: 928-45-0
butyl nitrate

C: 924-52-7
2-butyl nitrate

D: 2278-22-0
peroxyacetyl nitrate

E: peroxy-n-butyryl nitrate

F: 78-93-3
butanone

G C2H5C(O)OONO2: C2H5C(O)OONO2

Conditions

Conditions	Yield
With air; Nitrogen dioxide at 25℃; for 6h; Product distribution; Mechanism; Kinetics; Irradiation; also addition of NO;	A 1.3 % Chromat. B 1.3 % Chromat. C 16 % Chromat. D 23 % Chromat. E 1.3 % Chromat. F 37 % Chromat. G n/a

...Expand

: 60-29-7
diethyl ether

: 7697-37-2
nitric acid

: 625-58-1
ethyl nitrate

Conditions

Conditions	Yield
at -15 - -5℃;

: 3031-74-1
ethyl hydroperoxide

: 7782-77-6
cis-nitrous acid

: 625-58-1
ethyl nitrate

: 3031-74-1
ethyl hydroperoxide

alkyl nitrites: alkyl nitrites

: 625-58-1
ethyl nitrate

: 64-17-5
ethanol

benzoyl nitrate: benzoyl nitrate

: 625-58-1
ethyl nitrate

: 60-29-7
diethyl ether

N2O5: N2O5

: 625-58-1
ethyl nitrate

: 625-58-1
ethyl nitrate

: tin(ll) chloride

A: 5470-11-1
hydroxylamine hydrochloride

B: 7664-41-7
ammonia

C: 7646-78-8
tin(IV) chloride

Conditions

Conditions	Yield
With hydrogenchloride In hydrogenchloride byproducts: C2H5OH, H2O; in concd. HCl soln.; evapn. of the alcohol,diluting with water,pptg. of the Sn with H2S,evapn. and crystn. from alcohol;	A 90% B <1 C n/a

...Expand

: rubidium hydroxide

: 625-58-1
ethyl nitrate

: 5470-11-1
hydroxylamine hydrochloride

: 7440-23-5
sodium

: rubidium hyponitrate

Conditions

Conditions	Yield
In ethanol byproducts: NaCl; stepwise addn. of EtONa (prepd. from Na in EtOH) to NH2OH*HCl (0°C, soln. just alcaline towards phenolphtalein, stirring), filtration offof NaCl, addn. of 1 equiv. RbOH, addn. of 0.5 equiv. EtONO2 (pptn.), st anding for 2 days at 3-5°C; purity 92%; elem. anal.; can be repptd. from aq. soln. by EtOH or THF ordioxan;	85%

...Expand

: 625-58-1
ethyl nitrate

: 5470-11-1
hydroxylamine hydrochloride

: 7440-23-5
sodium

: sodium trioxodinitrate

Conditions

Conditions	Yield
In ethanol byproducts: NaCl; stepwise addn. of EtONa (prepd. from Na in EtOH) to NH2OH*HCl (0°C, soln. just alcaline towards phenolphtalein, stirring), filtration offof NaCl, slow addn. of 0.5 equiv. EtONO2 (pptn.), standing for 4 days a t 3-5°C; filtration, washing (EtOH, ether), drying (vac., 1 h); contg. NaNO2 and NaNO3 as impurities;	76%
In ethanol byproducts: NaCl; stepwise addn. of EtONa (prepd. from Na in EtOH) to NH2OH*HCl (0°C, soln. just alcaline towards phenolphtalein, stirring), filtration offof NaCl, slow addn. of 0.5 equiv. EtONO2 (pptn.), standing for 3 days a t 3-5°C; filtration, washing (EtOH, ether), drying (vac., 1 h); contg. NaNO2 and NaNO3 as impurities;	75%
In ethanol byproducts: NaCl; stepwise addn. of EtONa (prepd. from Na in EtOH) to NH2OH*HCl (0°C, soln. just alcaline towards phenolphtalein, stirring), filtration offof NaCl, slow addn. of 0.5 equiv. EtONO2 (pptn.), standing for 2 days a t 3-5°C; filtration, washing (EtOH, ether), drying (vac., 1 h); contg. NaNO2 and NaNO3 as impurities;	68%

...Expand

: 625-58-1
ethyl nitrate

: 5470-11-1
hydroxylamine hydrochloride

: 7440-23-5
sodium

: 1310-73-2
sodium hydroxide

: sodium trioxodinitrate

Conditions

Conditions	Yield
In ethanol byproducts: NaCl; stepwise addn. of EtONa (prepd. from Na in EtOH) to NH2OH*HCl (0°C, soln. just alcaline towards phenolphtalein, stirring), filtration offof NaCl, addn. of 1 equiv. NaOH, then dropwise addn. of 0.5 equiv. EtON O2 (0°C); standing (3-5°C, 3 days), filtration, washing (EtOH, ether), drying (vac., 120°C, 1 h), repeated dissoln. in H2O and pptn. on EtOHaddn. (0°C); purity 85%; can be repptd. also with dioxan or THF;	57%

Yield

In ethanol byproducts: NaCl; stepwise addn. of EtONa (prepd. from Na in EtOH) to NH2OH*HCl (0°C, soln. just alcaline towards phenolphtalein, stirring), filtration offof NaCl, addn. of 1 equiv. NaOH, then dropwise addn. of 0.5 equiv. EtON O2 (0°C); standing (3-5°C, 3 days), filtration, washing (EtOH, ether), drying (vac., 120°C, 1 h), repeated dissoln. in H2O and pptn. on EtOHaddn. (0°C); purity 85%; can be repptd. also with dioxan or THF;

57%

...Expand

: 625-58-1
ethyl nitrate

: 278-06-8
quadricyclo[2.2.1.0.0]heptane

: Sulfuric acid ethyl ester (1S,2S,4R,7R)-7-nitro-bicyclo[2.2.1]hept-5-en-2-yl ester

Conditions

Conditions	Yield
With sulfur trioxide In dichloromethane at -55℃; for 0.5h;	51%

: 625-58-1
ethyl nitrate

: 5470-11-1
hydroxylamine hydrochloride

: 7440-23-5
sodium

: 1310-65-2
lithium hydroxide

: lithium nitrohydroxylaminate

Conditions

Conditions	Yield
In ethanol byproducts: NaCl; stepwise addn. of EtONa (prepd. from Na in EtOH) to NH2OH*HCl (0°C, soln. just alcaline towards phenolphtalein, stirring), filtration offof NaCl, addn. of 1 equiv. LiOH, then addn. of 0.5 equiv. EtONO2 (pptn. ), standing at 0°C; repeated dissoln. in H2O and pptn. on EtOH addn.; elem. anal.; can be repptd. also with dioxan or THF;	44.6%

...Expand

: 625-58-1
ethyl nitrate

: 5162-34-5
3,4,5,6-Tetrafluoro-tricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene

: Sulfuric acid ethyl ester (5S,8S,9R,10S)-1,2,3,4-tetrafluoro-10-nitro-8,9-dihydro-5H-5,8-methano-benzocyclohepten-9-yl ester

: exo-8-nitro-3,4-tetrafluorobenzotricyclo[3.2.1.02,7]oct-3-en-endo-6-yl ethyl sulfate

Conditions

Conditions	Yield
With sulfur trioxide In dichloromethane at -55℃; for 0.5h;	A 30% B 26%

...Expand

: 15321-51-4
diiron nonacarbonyl

: 625-58-1
ethyl nitrate

: dicarbonyldinitrosyliron

Conditions

Conditions	Yield
In benzene under N2, stirred overnight; filtered, evapd.; identified by IR-spectroscopy;	24%

: 625-58-1
ethyl nitrate

: 142-29-0
cyclopentene

A: 6925-11-7
4-nitrocyclopentene

B: 7053-55-6
2-nitrocyclopentene

: Sulfuric acid ethyl ester (1R,3R)-3-nitro-cyclopentyl ester

: Sulfuric acid ethyl ester (1R,3S)-3-nitro-cyclopentyl ester

Conditions

Conditions	Yield
With sulfur trioxide In dichloromethane at -55℃; for 0.5h; Yields of byproduct given;	A n/a B n/a C 14% D 15%

...Expand

: ferrocenylbenzene

: 625-58-1
ethyl nitrate

: para-nitrophenylferrocene

Conditions

Conditions	Yield
With aluminium trichloride In carbon disulfide	13%
With AlCl3 In carbon disulfide	13%

: 625-58-1
ethyl nitrate

: C22H19ClF3NOS

: 103-71-9
phenyl isocyanate

: C24H22ClF3N2O2S

Conditions

Conditions	Yield
With triethylamine In benzene at 20℃; for 2h;	10%

...Expand

: 625-82-1
2,4-dimethyl-1H-pyrrole

: 625-58-1
ethyl nitrate

: 33458-34-3
2,4-dimethyl-3-nitropyrrole

Conditions

Conditions	Yield
With diethyl ether; sodium

: 96-50-4
2-thiazolylamine

: 625-58-1
ethyl nitrate

: 121-66-4
2-amino-5-nitro-1,3-thiazole

Conditions

Conditions	Yield
With sulfuric acid

: 451-40-1
phenyl benzyl ketone

: 625-58-1
ethyl nitrate

: 141-52-6
sodium ethanolate

A: 622-42-4
1-nitro-1-phenylmethane

B: 93-89-0
benzoic acid ethyl ester

...Expand

: 120-72-9
indole

: 60-29-7
diethyl ether

: 625-58-1
ethyl nitrate

: 141-52-6
sodium ethanolate

: 4770-03-0
3-nitro-1H-indole

...Expand

: 120-72-9
indole

: 625-58-1
ethyl nitrate

: 4770-03-0
3-nitro-1H-indole

Conditions

Conditions	Yield
With diethyl ether; sodium ethanolate

: 1603-91-4
4-methylthiazol-2-ylamine

: 625-58-1
ethyl nitrate

: 56682-07-6
2-amino-4-methyl-5-nitrothiazole

Conditions

Conditions	Yield
With sulfuric acid

: 95-20-5
2-methyl-1H-indole

: 625-58-1
ethyl nitrate

: 2-methyl-3-aci-nitro-3H-indole

Conditions

Conditions	Yield
With diethyl ether; ethanol; sodium

: 2947-60-6
3-methylbenzyl cyanide

: 625-58-1
ethyl nitrate

: nitro-m-tolyl-acetonitrile

Conditions

Conditions	Yield
With diethyl ether; sodium ethanolate durch Ansaeuern in waessr. Loesung;

: 2947-61-7
(4-methylphenyl)acetonitrile

: 625-58-1
ethyl nitrate

: nitro-p-tolyl-acetonitrile

Conditions

Conditions	Yield
With diethyl ether; potassium ethoxide

: 132-75-2
naphthalen-1-ylacetonitrile

: 625-58-1
ethyl nitrate

: [1]naphthyl-nitro-acetonitrile; sodium compound

Conditions

Conditions	Yield
With sodium ethanolate

: 92-91-1
biphenyl-4-acetaldehyde

: 625-58-1
ethyl nitrate

: 135-69-3
4-acetyl-4'-nitrobiphenyl

Conditions

Conditions	Yield
With sulfuric acid

: 136-95-8
2-amino-benzthiazole

: 625-58-1
ethyl nitrate

: 6285-57-0
2-amino-6-nitrobenzothiazole

Conditions

Conditions	Yield
With sulfuric acid

: 2719-23-5
2-acetamidothiazole

: 625-58-1
ethyl nitrate

: 140-40-9
Nitazole

Conditions

Conditions	Yield
With sulfuric acid; potassium nitrate

: 934-34-9
2(3H)-Benzothiazolone

: 625-58-1
ethyl nitrate

: 28620-12-4
6-nitro-2(3H)-benzothiazolone

Conditions

Conditions	Yield
With sulfuric acid
With nitric acid

: 917-64-6
methyl magnesium iodide

: 60-29-7
diethyl ether

: 625-58-1
ethyl nitrate

A: 5725-96-2
N,N-dimethylhydroxylamine

B: 124-40-3
dimethyl amine

Conditions

Conditions	Yield
reagiert analog mit Aethylmagnesiumbromid;

...Expand

Ethyl nitrate Consensus Reports

Reported in EPA TSCA Inventory.

Ethyl nitrate Specification

Ethyl nitrate has formula C₂H₅NO₃. With the CAS NO.625-58-1, it is also called Nitric acid ethyl ester; Ethyl nitrate; 1-Nitrooxyethane; Nitric acid ethyl. It is a clear colorless liquid with a pleasant odor. It is used in organic synthesis and as an intermediate in the preparation of some drugs, dyes, and perfumes.

Physical properties about Ethyl nitrate are: (1)ACD/LogP: 1.482; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 7.88; (5)ACD/BCF (pH 7.4): 7.88; (6)ACD/KOC (pH 5.5): 152.47; (7)ACD/KOC (pH 7.4): 152.47; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.389; (11)Molar Refractivity: 19.082 cm³; (12)Molar Volume: 80.69 cm³; (13)Polarizability: 7.565 10-24cm³; (14)Surface Tension: 30.701000213623 dyne/cm; (15)Density: 1.129 g/cm³; (16)Flash Point: 33.525 °C; (17)Enthalpy of Vaporization: 31.299 kJ/mol; (18)Boiling Point: 86.247 °C at 760 mmHg; (19)Vapour Pressure: 75.161003112793 mmHg at 25°C

Preparation of Ethyl nitrate: Ethyl nitrate has been prepared by bubbling gaseous nitryl fluoride through ethanol at −10 °C.[2] The reaction was subsequently studied in detail.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3;
(2)InChIKey=IDNUEBSJWINEMI-UHFFFAOYSA-N;
(3)SmilesO([N+](=O)[O-])CC;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intraperitoneal	300mg/kg (300mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 393, 1986.

Product Name

Ethyl nitrate

Synthetic route

Ethyl nitrate Consensus Reports

Ethyl nitrate Specification

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