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627-13-4

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627-13-4 Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 627-13-4 differently. You can refer to the following data:
1. White to straw-colored liquid; ethereal odor. Insoluble in water; soluble in alcohol and ether.
2. n-Propyl nitrate is a colorless to pale yellow liquid. Ethereal odor.

Physical properties

Colorless to light yellow, flammable liquid with an ether-like odor. Odor threshold concentration is 50 ppm (quoted, Amoore and Hautala, 1983).

Uses

Different sources of media describe the Uses of 627-13-4 differently. You can refer to the following data:
1. Fuel ignition promoter; rocket propellants; organic intermediate.
2. Fuel ignition promoter, in rocket fuel formulations, as organic intermediate.

General Description

A white to straw-colored liquid with an ether-like odor. About the same density as water and insoluble in water. Flash point 70°F. Vapors heavier than air. Used as a fuel. Shock sensitive. The shock sensitivity is removed by addition of 1-2% of propane, butane, chloroform, ethyl ether, or methyl ether.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Organonitrates, such as n-Propyl nitrate, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Contact with either strong oxidizers or with combustibles may cause fires and explosions.

Hazard

Flammable, severe fire and explosion risk, strong oxidizing material, explosive limits in air 2– 100%. Nausea and headache.

Health Hazard

Exposure can cause anoxia and cyanosis. Other effects are weakness, dizziness, and severe headaches.

Fire Hazard

Special Hazards of Combustion Products: Toxic gases and vapors, such as oxides of nitrogen and carbon monoxide, may be released in a fire.

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, dunethyl ether, or dithyl 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.

Potential Exposure

Propyl nitrate has been used as an intermediate as a rocket propellant and as an ignition improver in diesel fuels.

Shipping

UN1865 n-Propyl nitrate, Hazard Class: 3; Labels: 3-Flammable liquid.

Incompatibilities

Vapor may form explosive mixture with air. Reacts with reducing agents, combustible materials; may be violent. A shock-sensitive explosive. The shock sensitivity is removed by addition of 1%?2% of propane, butane, chloroform, ethyl ether, or methyl ether . May explode on heating. Forms explosive mixtures with com- bustible materials. This material is an organonitrate. They can range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides, and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher tem- perature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Contact with either strong oxidizers or with combustibles may cause fires and explosions .

Waste Disposal

Incineration: large quantities of material may require nitrogen oxide removal by catalytic or scrubbing processes . An alternative route suggested involves pouring over soda ash, neutralizing with HCl and flushing to the drain with water.

Check Digit Verification of cas no

The CAS Registry Mumber 627-13-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 7 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 627-13:
(5*6)+(4*2)+(3*7)+(2*1)+(1*3)=64
64 % 10 = 4
So 627-13-4 is a valid CAS Registry Number.
InChI:InChI=1/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

627-13-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Propyl nitrate

1.2 Other means of identification

Product number -
Other names UN1865

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:627-13-4 SDS

627-13-4Synthetic route

propan-1-ol
71-23-8

propan-1-ol

propyl nitrate
627-13-4

propyl nitrate

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%
1-iodo-propane
107-08-4

1-iodo-propane

propyl nitrate
627-13-4

propyl nitrate

Conditions
ConditionsYield
With chloroform; nitric acid at -10℃;
nitro-propyl-amine; ammonium salt

nitro-propyl-amine; ammonium salt

propyl nitrate
627-13-4

propyl nitrate

Conditions
ConditionsYield
With nitrylfluoride In acetonitrile
propane
74-98-6

propane

A

isopropyl nitrate
1712-64-7

isopropyl nitrate

B

propyl nitrate
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);
propane
74-98-6

propane

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

n-propyl nitrite
543-67-9

n-propyl nitrite

C

isopropyl nitrate
1712-64-7

isopropyl nitrate

D

propyl nitrate
627-13-4

propyl nitrate

E

2-nitropropane
79-46-9

2-nitropropane

F

1-Nitropropane
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.
propane
74-98-6

propane

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

isopropyl nitrate
1712-64-7

isopropyl nitrate

C

propyl nitrate
627-13-4

propyl nitrate

D

2-nitropropane
79-46-9

2-nitropropane

E

1-Nitropropane
108-03-2

1-Nitropropane

F

acetone
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.;
1-bromo-3-propanol
627-18-9

1-bromo-3-propanol

propyl nitrate
627-13-4

propyl nitrate

Conditions
ConditionsYield
With silver nitrate In acetonitrile at 20℃; for 24h;
2-(2-methyl-5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-pyrrol-3-yl)ethyl-1H-imidazole-1-carboxylate
1429808-15-0

2-(2-methyl-5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-pyrrol-3-yl)ethyl-1H-imidazole-1-carboxylate

propyl nitrate
627-13-4

propyl nitrate

2-(2-methyl-5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-pyrrol-3-yl)ethyl-3-(nitrooxy)propyl carbonate
1429808-16-1

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

diammonium hydrogen phosphate

propyl nitrate
627-13-4

propyl nitrate

2,4-dibenzyloxybenzaldehyde
13246-46-3

2,4-dibenzyloxybenzaldehyde

2,4-Dibenzyloxybenzonitrile
170279-11-5

2,4-Dibenzyloxybenzonitrile

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

piperidine

propyl nitrate
627-13-4

propyl nitrate

N-propylpiperidine
5470-02-0

N-propylpiperidine

Conditions
ConditionsYield
Mehrtaegiges Stehenlassen.;
propyl nitrate
627-13-4

propyl nitrate

(8S,9R)-6'-Propoxy-cinchonan-9-ol
119568-86-4

(8S,9R)-6'-Propoxy-cinchonan-9-ol

Conditions
ConditionsYield
With propan-1-ol; sodium n-propoxide at 110℃; im Rohr;
propyl nitrate
627-13-4

propyl nitrate

propylamine
107-10-8

propylamine

Conditions
ConditionsYield
With ethanol; ammonia at 100℃;
propyl nitrate
627-13-4

propyl nitrate

diisopropyl n-butylphosphonate
52468-61-8

diisopropyl n-butylphosphonate

phosphoric acid diisopropyl ester propyl ester
67774-28-1

phosphoric acid diisopropyl ester propyl ester

Conditions
ConditionsYield
(i) nBuLi, iPr2NH, THF, hexane, (ii) /BRN= 1701406/; Multistep reaction;
propyl nitrate
627-13-4

propyl nitrate

dibutyl butylphosphonate
78-46-6

dibutyl butylphosphonate

phosphoric acid dibutyl ester propyl ester
7242-63-9

phosphoric acid dibutyl ester propyl ester

Conditions
ConditionsYield
(i) nBuLi, iPr2NH, THF, hexane, (ii) /BRN= 1701406/; Multistep reaction;
1,2-dimethyl-1H-benzimidazole
2876-08-6

1,2-dimethyl-1H-benzimidazole

propyl nitrate
627-13-4

propyl nitrate

1-methyl-2-nitromethylbenzimidazole
36097-98-0

1-methyl-2-nitromethylbenzimidazole

Conditions
ConditionsYield
With ammonia; sodium 1.30min 2. 30min, ether; Yield given. Multistep reaction;
2'-hydroxy-3',4'-dimethoxyacetophenone
5396-18-9

2'-hydroxy-3',4'-dimethoxyacetophenone

propyl nitrate
627-13-4

propyl nitrate

1-(2-Hydroxy-3,4-dimethoxy-phenyl)-2-nitro-ethanone
82222-78-4

1-(2-Hydroxy-3,4-dimethoxy-phenyl)-2-nitro-ethanone

Conditions
ConditionsYield
Yield given. Multistep reaction;
propyl nitrate
627-13-4

propyl nitrate

1-(2-Hydroxy-phenyl)-propan-1-on
610-99-1

1-(2-Hydroxy-phenyl)-propan-1-on

A

propyl salicylate
607-90-9

propyl salicylate

B

2-((Z)-1-Hydroxy-2-nitro-propenyl)-phenol
82222-76-2

2-((Z)-1-Hydroxy-2-nitro-propenyl)-phenol

C

salicylic acid
69-72-7

salicylic acid

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given;
propyl nitrate
627-13-4

propyl nitrate

3-Hydroxyacetophenone
121-71-1

3-Hydroxyacetophenone

A

Propyl 3-hydroxybenzoate
38567-05-4

Propyl 3-hydroxybenzoate

B

1-(3-Hydroxy-phenyl)-2-nitro-ethanone
82222-75-1

1-(3-Hydroxy-phenyl)-2-nitro-ethanone

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given;
propyl nitrate
627-13-4

propyl nitrate

1-(2-hydroxyphenyl)-2-methylpropan-1-one
6640-69-3

1-(2-hydroxyphenyl)-2-methylpropan-1-one

A

propyl salicylate
607-90-9

propyl salicylate

B

1-(2-Hydroxy-phenyl)-2-methyl-2-nitro-propan-1-one
82222-77-3

1-(2-Hydroxy-phenyl)-2-methyl-2-nitro-propan-1-one

C

salicylic acid
69-72-7

salicylic acid

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given;
propyl nitrate
627-13-4

propyl nitrate

o-hydroxyacetophenone
118-93-4

o-hydroxyacetophenone

A

2'-Hydroxy-ω-nitroacetophenone
29378-60-7

2'-Hydroxy-ω-nitroacetophenone

B

propyl salicylate
607-90-9

propyl salicylate

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given;
propyl nitrate
627-13-4

propyl nitrate

2-methyl-1-phenyl-1H-benzimidazole
1484-39-5

2-methyl-1-phenyl-1H-benzimidazole

1-phenyl-2-nitromethylbenzimidazole
36097-97-9

1-phenyl-2-nitromethylbenzimidazole

Conditions
ConditionsYield
With ammonia; sodium 1. 30min 2. 30min, ether; Yield given. Multistep reaction;
propyl nitrate
627-13-4

propyl nitrate

A

Nitroethane
79-24-3

Nitroethane

B

n-propyl nitrite
543-67-9

n-propyl nitrite

C

nitrogen dioxide

nitrogen dioxide

D

nitrogen monooxide

nitrogen monooxide

Conditions
ConditionsYield
at 181℃; Rate constant; Pyrolysis;
propyl nitrate
627-13-4

propyl nitrate

A

water
7732-18-5

water

B

propionaldehyde
123-38-6

propionaldehyde

C

NO2

NO2

D

NO

NO

Conditions
ConditionsYield
Zersetzt beim Erhitzen an der Luft explosionsartig;
4-(2-methyl-1,3-dioxolan-2-yl)phenylthioacetic acid

4-(2-methyl-1,3-dioxolan-2-yl)phenylthioacetic acid

propyl nitrate
627-13-4

propyl nitrate

(4-t-butylphenylthio)nitromethane

(4-t-butylphenylthio)nitromethane

Conditions
ConditionsYield
With hydrogenchloride; n-butyllithium; sodium bicarbonate In tetrahydrofuran; hexane; water
propyl nitrate
627-13-4

propyl nitrate

3,4-dibromoacetanilide
24108-97-2

3,4-dibromoacetanilide

acetic acid-(4,5-dibromo-2-nitro-anilide)
75293-96-8

acetic acid-(4,5-dibromo-2-nitro-anilide)

Conditions
ConditionsYield
With sulfuric acid In ice-water
With sulfuric acid In ice-water
With sulfuric acid
propyl nitrate
627-13-4

propyl nitrate

Nitrogen dioxide
10102-44-0

Nitrogen dioxide

Conditions
ConditionsYield
In gaseous matrix Irradiation (UV/VIS); photolysis of alkyl nitrate (pressure 1-10 Torr) at 278-293 K; N2 buffergas;
lithiumferrocene
1271-15-4

lithiumferrocene

propyl nitrate
627-13-4

propyl nitrate

nitroferrocene

nitroferrocene

Conditions
ConditionsYield
-70°C;

627-13-4Relevant articles and documents

NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV)

-

Page/Page column 123, (2020/11/12)

The present invention relates generally to novel antiviral agents. Specifically, the present invention relates to compounds which can inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV replication cycle, compositions comprising such compounds, methods for inhibiting HBV viral replication, methods for treating or preventing HBV infection, and processes and intermediates for making the compounds.

Kinetics and Products of the Reactions of Ethyl and n-Propyl Nitrates with OH Radicals

Morin, Julien,Bedjanian, Yuri,Romanias, Manolis N.

, p. 822 - 829 (2016/11/02)

The kinetics of the reactions of ethyl (1) and n-propyl (2) nitrates with OH radicals has been studied using a low-pressure flow tube reactor combined with a quadrupole mass spectrometer. The rate constants of the title reactions were determined under pseudo–first-order conditions from kinetics of OH consumption in high excess of nitrates. The overall rate constants, k1 = 1.14 × 10?13 (T/298)2.45 exp(193/T) and k2 = 3.00 × 10?13 (T/298)2.50 exp(205/T) cm3 molecule?1 s?1 (with conservative 15% uncertainty), were determined at a total pressure of 1 Torr of helium over the temperature range (248–500) and (263–500) K, respectively. The yields of the carbonyl compounds, acetaldehyde and propanal, resulting from the abstraction by OH of an α-hydrogen atom in ethyl and n-propyl nitrates, followed by α-substituted alkyl radical decomposition, were determined at T = 300 K to be 0.77 ± 0.12 and 0.22 ± 0.04, respectively.

NO-donating tacrine hybrid compounds improve scopolamine-induced cognition impairment and show less hepatotoxicity

Fang, Lei,Appenroth, Dorothea,Decker, Michael,Kiehntopf, Michael,Lupp, Amelie,Peng, Sixun,Fleck, Christian,Zhang, Yihua,Lehmann, Jochen

supporting information; experimental part, p. 7666 - 7669 (2009/12/07)

A series of tacrine - NO donor hybrid compounds are synthesized and evaluated for cholinesterase inhibitory activity, cognition improving activity, and hepatotoxicity. The pharmacological results indicate that hybrid compounds 1, 2, and 3a potently inhibit cholinesterase in vitro and significantly improve the scopolamine-induced cognition impairment, whereas an analogue (3h) of 2 without the NO donor moiety does not. Compared to tacrine, 1 and 2 show much less hepatotoxicity. Molecular modeling studies suggest that 2 may interact with the catalytic and the peripheral anionic site of acetylcholinesterase.

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