1-Nitropropane Chemical Properties

Melting point:

-108 °C

Boiling point:

132 °C

Density 

0.998 g/mL at 25 °C(lit.)

vapor density 

3.1 (vs air)

vapor pressure 

7.5 mm Hg ( 20 °C)

refractive index 

n20/D 1.401(lit.)

Flash point:

93 °F

storage temp. 

Store below +30°C.

solubility 

14g/l

pka

pK1:8.98 (25°C)

form 

Liquid

color 

Clear

PH

6.0 (0.9g/l, H2O, 20℃)

explosive limit

2.2-11.0%(V)

Water Solubility 

1.40 g/100 mL

Merck 

14,6626

BRN 

506236

Henry's Law Constant

6.11 at 25 °C (static headspace-GC, Welke et al., 1998)

Exposure limits

NIOSH REL: TWA 25 ppm (90 mg/m³), IDLH 1,000 ppm; OSHA PEL: TWA 25 ppm; ACGIH TLV: TWA 25 ppm (adopted).

Dielectric constant

23.239999999999998

Stability:

Stable. Flammable. Incompatible with strong bases, strong oxidizing agents.

InChIKey

JSZOAYXJRCEYSX-UHFFFAOYSA-N

LogP

0.79 at 22℃

CAS DataBase Reference

108-03-2(CAS DataBase Reference)

NIST Chemistry Reference

Propane, 1-nitro-(108-03-2)

EPA Substance Registry System

1-Nitropropane (108-03-2)

Safety Information

Hazard Codes 

Xn

Risk Statements 

10-20/21/22

Safety Statements 

9-24/25

OEB

A

OEL

TWA: 25 ppm (90 mg/m3)

RIDADR 

UN 2608 3/PG 3

WGK Germany 

1

RTECS 

TZ5075000

Autoignition Temperature

788 °F

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29042000

Hazardous Substances Data

108-03-2(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 455 mg/kg LD50 dermal Rabbit > 2000 mg/kg

IDLA

1,000 ppm

MSDS

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1-Nitropropane Usage And Synthesis

Description

1-Nitropropane (1-NP), a representative small nitro-alkane, is widely used as an industrial solvent and a fuel additive in automobiles and aircraft engines. The improvement effects of 1-NP on fuel combustion demonstrate that 1-NP served as an initiator can rapidly produce a large number of reactive radicals, which significantly increases the fuel conversion rate. In addition, among the small nitro-alkanes, the molecular structure of 1-NP endows it with a higher specific impulse. It provides the possibilities for its application as propellant in long-range rocket systems[1].

Chemical Properties

Colorless liquid.Soluble in water 1.4 mL/100 mL (20C); solubility of water in 1-nitropropane 0.5 cc/100 cc (20C).

Chemical Properties

1-Nitropropane is a colorless liquid with a mild, fruity odor.

Physical properties

Colorless, oily liquid with a mild, fruity odor. A detection odor threshold concentration of 510 mg/m³ (140 ppm_v) was experimentally determined by Dravnieks (1974).

Uses

Solvent for organic materials; propellant fuel; gasoline additive

Uses

The solvent of 1-Nitropropane is mainly used coatings, inks and separation processes.

Uses

Solvent, chemical synthesis, rocket propellant, gasoline additive.

Definition

ChEBI: 1-nitropropane is a nitroalkane that is propane substituted at C-1 by a nitro group. It derives from a hydride of a propane.

Production Methods

1-Nitropropane is produced by vapor-phase nitration of propane with nitric acid (Baker and Bollmeier 1978) or by the vapor-phase nitration of butanol (HSDB 1988).

Hazard

Flammable, moderate fire risk, moderate explosion hazard when shocked or heated. Liver damage, eye and upper respiratory tract irritant. Questionable carcinogen.

Health Hazard

Humans exposed briefly to vapors of 1-nitropropane were found to have concentrations exceeding 100 p.p.m. irritating to the eyes (HSDB 1988). The chemical may produce anorexia, nausea, vomiting, diarrhea as well as injury to the liver and kidneys in exposed humans. High concentrations of the chemical also may produce methemoglobinemia with cyanosis. 1-Nitropropane vapors also are damaging to the lungs. 1-Nitropropane is, however, more acutely irritating to mucus membranes than 2-nitropropane. Despite this, the TLV for human exposure to 2-nitropropane is less than that for 1-nitropropane, based on the carcinogenic potential of 2-nitropropane in rats.

Industrial uses

1-Nitropropane is used as a solvent for cellulose acetate, vinyl resins and lacquers. It is also used as a gasoline additive (HSDB 1988).

Safety Profile

Poison by ingestion and intraperitoneal routes. Mildly toxic by inhalation. A human eye irritant. Human systemic effects by inhalation: conjunctiva irritation. Mutation data reported. Very dangerous fire hazard when exposed to heat, open flame, or oxidizers. Reacts violently with Ca(OH)2, hydrocarbons, hydroxides, inorganic bases. May explode on heating. Metal oxides increase its sensitivity to thermal ignition. To fight fire, use alcohol foam, CO2, dry chemical, water spray. When heated to decomposition it emits toxic fumes of NOx. See also 2- NITROPROPANE, NITROALKANES, and NITRO COMPOUNDS.

Potential Exposure

1-Nitropropane is used as a solvent for polymers, as a stabilizer; and in organic synthesis. Note: Technical products measurably contaminated with 2-Nitropropane, see also 2-Nitropropane (N: 0550)

Metabolism

1-Nitropropane is a substrate for the liver microsomal cytochrome P-450-dependent mixed-function oxidase system. Oxidative denitrification of 1-nitropropane by phenobarbital-induced rat microsomes occurred at a rate of 0.6 nmole/min/mg protein. This rate was much slower than for 2-nitropropane which was metabolized at 2.4 nmole/min/mg microsomal protein (Ullrich et al 1978).
The role of the cytochrome P-450 system in vivo in 1-nitropropane metabolism is unknown. Bray and James (1958) isolated a small amount of a mercapturic acid metabolite from the urine of rabbits dosed with 1-nitropropane.

Shipping

UN2608 Nitropropanes, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Purify it as for nitromethane. [Beilstein 1 IV 229.]

Incompatibilities

1-Nitropropane, a nitroparaffinin, forms exposive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, reducing agents; nitrates, amines, hydrocarbons, and other combustible materials; metal oxides. May explode on heating.

References

[1] Li He . “Ignition characteristics of 1-Nitropropane: Experimental measurements and kinetic modeling.” Fuel 317 (2022): Article 123385.

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