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627-13-4

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Basic Information
CAS No.: 627-13-4
Name: n-Propyl nitrate
Article Data: 23
Molecular Structure:
Molecular Structure of 627-13-4 (n-Propyl nitrate)
Formula: C3H7 N O3
Molecular Weight: 105.093
Synonyms: Propylnitrate (6CI,7CI); n-Propyl nitrate
Density: 1.081g/cm3
Melting Point: -99.99°C
Boiling Point: 111.6°C at 760 mmHg
Flash Point: 42.2°C
Hazard Symbols: Flammable, severe fire and explosion risk, strong oxidizing material, explosive limits in air 2–100%. TLV: 25 ppm; STEL 40 ppm.
Safety: Poison by intravenous route. Inhalation can cause hypotension and methemoglobinemia. Dangerous fire hazard when exposed to heat, flame, or oxidizers. Explosive in the form of vapor when exposed to heat or flame. A shock-sensitive explosive. It can be desensitized by the addition of 1–2% propane, butane, chloroform, dimethyl ether, or diethyl ether. When heated to decomposition it emits toxic fumes of NOx. Used as a fuel ignition promoter, chemical intermediate, and in the manufacture of rocket fuels. See also NITRATES and ESTERS.
PSA: 55.05000
LogP: 1.12790
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Synthetic route
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627-13-4

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Conditions
ConditionsYield
With potassium fluoride; nitrylfluoride In acetonitrile at -30 - -20℃;90%
With sulfuric acid; nitric acid In dichloromethane; water at 5℃; Cooling with ice;90%
With sulfuric acid; nitric acid In dichloromethane at 0 - 20℃; for 18h;75.9%
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Conditions
ConditionsYield
With chloroform; nitric acid at -10℃;

nitro-propyl-amine; ammonium salt

627-13-4

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Conditions
ConditionsYield
With nitrylfluoride In acetonitrile
74-98-6

propane

A

1712-64-7

isopropyl nitrate

B

627-13-4

propyl nitrate

Conditions
ConditionsYield
With methyl nitrite; ultra-zero air; nitrogen(II) oxide at 25.9℃; for 0.333333h; Product distribution; Rate constant; Irradiation; other alkyl peroxy radical generator (Cl2);
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propane

A

541-42-4

i-propyl nitrite

B

543-67-9

n-propyl nitrite

C

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isopropyl nitrate

D

627-13-4

propyl nitrate

E

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2-nitropropane

F

108-03-2

1-Nitropropane

Conditions
ConditionsYield
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
ConditionsYield
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
627-18-9

1-bromo-3-propanol

627-13-4

propyl nitrate

Conditions
ConditionsYield
With silver nitrate In acetonitrile at 20℃; for 24h;
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2-(2-methyl-5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-pyrrol-3-yl)ethyl-1H-imidazole-1-carboxylate

627-13-4

propyl nitrate

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2-(2-methyl-5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-pyrrol-3-yl)ethyl-3-(nitrooxy)propyl carbonate

Conditions
ConditionsYield
With pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene at 20℃; for 3h;68%

diammonium hydrogen phosphate

627-13-4

propyl nitrate

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2,4-dibenzyloxybenzaldehyde

170279-11-5

2,4-Dibenzyloxybenzonitrile

Conditions
ConditionsYield
In water; acetic acid40%
...Expand
110-89-4

piperidine

627-13-4

propyl nitrate

5470-02-0

N-propylpiperidine

Conditions
ConditionsYield
Mehrtaegiges Stehenlassen.;
Raw Materials
107-08-4
627-18-9
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Downstream Products
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Chemistry

Empirical Formula: C3H7NO3
Molecular Weight: 105.09 g/mol
EINECS: 210-985-0 
Index of Refraction: 1.402
Density: 1.081 g/cm3
Flash Point: 42.2 °C
Enthalpy of Vaporization: 33.57 kJ/mol
Boiling Point: 111.6 °C at 760 mmHg
Vapour Pressure: 26.6 mmHg at 25 °C
Solubility: Insoluble in water
Appearance: A white to straw-colored liquid with an ether-like odor
Structure of n-Propyl nitrate (CAS NO.627-13-4):
                 
IUPAC Name of n-Propyl nitrate (CAS NO.627-13-4): Propyl nitrate

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 118, Pg. 77, 1956.
dog LDLo intravenous 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 118, Pg. 77, 1956.
mouse LCLo inhalation 5816ppm/4H (5816ppm) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 American Industrial Hygiene Association Journal. Vol. 19, Pg. 80, 1958.
rabbit LD50 intravenous 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 118, Pg. 77, 1956.
rat LCLo inhalation 5816ppm/4H (5816ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 American Industrial Hygiene Association Journal. Vol. 19, Pg. 80, 1958.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. Inhalation can cause hypotension and methemoglobinemia. Dangerous fire hazard when exposed to heat, flame, or oxidizers. Explosive in the form of vapor when exposed to heat or flame. A shock-sensitive explosive. It can be desensitized by the addition of 1–2% propane, butane, chloroform, dimethyl ether, or diethyl ether. When heated to decomposition it emits toxic fumes of NOx. Used as a fuel ignition promoter, chemical intermediate, and in the manufacture of rocket fuels. See also NITRATES and ESTERS.

Standards and Recommendations

OSHA PEL: TWA 25 ppm; STEL 40 ppm
ACGIH TLV: TWA 25 ppm; STEL 40 ppm
DFG MAK: 25 ppm (110 mg/m3)
DOT Classification:  3; Label: Flammable Liquid

Specification

 n-Propyl nitrate ,its cas register number is 627-13-4. It also can be called Nitrate de propyle normal ; Nitric acid, propyl ester ;and Propyl nitrate . n-Propyl nitrate (CAS NO.627-13-4), range from slight to strong oxidizing agents and if mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation.