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CAS No.: | 625-58-1 |
---|---|
Name: | Ethyl nitrate |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C2H5 N O3 |
Molecular Weight: | 91.0666 |
Synonyms: | Ethylnitrate;NSC 8826;Ethyl nitrate; |
EINECS: | 210-903-3 |
Density: | 1.128g/cm3 |
Melting Point: | -94.59°C |
Boiling Point: | 86.2°C at 760 mmHg |
Flash Point: | 33.5°C |
Hazard Symbols: | Flammable, dangerous, fire and explosion risk. |
Risk Codes: | 2 |
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 NOx. See also NITRATES and ESTERS. |
PSA: | 55.05000 |
LogP: | 0.73780 |
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% |
Conditions | Yield |
---|---|
With potassium fluoride; nitrylfluoride In acetonitrile at -30 - -20℃; | 89.4% |
With nitronium tetrafluoborate | |
With nitric acid |
1,1,1-Trimethylolethane dinitrate
A
3-hydroxymethyl-3-methyloxethane
B
2-(hydroxymethyl)-2-methylpropane-1,3-diol
C
ethyl nitrate
D
1,1,1-Trimethylolethane mononitrate
E
3-methyl-3-(nitroxymethyl)oxetane
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 |
Conditions | Yield |
---|---|
With cis-nitrous acid |
Conditions | Yield |
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With silver nitrate In ethanol at 20℃; Product distribution; Mechanism; var. salt conc.; | |
With silver nitrate |
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. |