1-Nitropropane

1-Nitropropane Basic information
Product Name:1-Nitropropane
Synonyms:1-NITROPROPANE FOR SYNTHESIS 1 L;1-NITROPROPANE FOR SYNTHESIS 250 ML;1-Nitropropane,98%;1-Nitropropane (1-NP);1-Nitropro;1-Nitropropane >=98.5%;1-NITROPROPANE;1-Nitropan
CAS:108-03-2
MF:C3H7NO2
MW:89.09
EINECS:203-544-9
Product Categories:Alpha Sort;Chemical Class;N;NA - NIAnalytical Standards;N-OAlphabetic;Volatiles/ Semivolatiles;Industrial/Fine Chemicals;Organics;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;solvents and intermediates
Mol File:108-03-2.mol
1-Nitropropane Structure
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.)
Fp 93 °F
storage temp. Store below +30°C.
solubility 14g/l
pkapK1:8.98 (25°C)
form Liquid
color Clear
PH6.0 (0.9g/l, H2O, 20℃)
explosive limit2.2-11.0%(V)
Water Solubility 1.40 g/100 mL
Merck 14,6626
BRN 506236
Henry's Law Constant6.11 at 25 °C (static headspace-GC, Welke et al., 1998)
Exposure limitsNIOSH REL: TWA 25 ppm (90 mg/m3), IDLH 1,000 ppm; OSHA PEL: TWA 25 ppm; ACGIH TLV: TWA 25 ppm (adopted).
Stability:Stable. Flammable. Incompatible with strong bases, strong oxidizing agents.
InChIKeyJSZOAYXJRCEYSX-UHFFFAOYSA-N
LogP0.79 at 22℃
CAS DataBase Reference108-03-2(CAS DataBase Reference)
NIST Chemistry ReferencePropane, 1-nitro-(108-03-2)
EPA Substance Registry System1-Nitropropane (108-03-2)
Safety Information
Hazard Codes Xn
Risk Statements 10-20/21/22
Safety Statements 9-24/25
RIDADR UN 2608 3/PG 3
WGK Germany 1
RTECS TZ5075000
Autoignition Temperature788 °F
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29042000
Hazardous Substances Data108-03-2(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 455 mg/kg LD50 dermal Rabbit > 2000 mg/kg
IDLA1,000 ppm
MSDS Information
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1-Nitropropane English
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1-Nitropropane Usage And Synthesis
Chemical PropertiesColorless liquid.Soluble in water 1.4 mL/100 mL (20C); solubility of water in 1-nitropropane 0.5 cc/100 cc (20C).
Chemical Properties1-Nitropropane is a colorless liquid with a mild, fruity odor.
Physical propertiesColorless, oily liquid with a mild, fruity odor. A detection odor threshold concentration of 510 mg/m3 (140 ppmv) was experimentally determined by Dravnieks (1974).
UsesSolvent for organic materials; propellant fuel; gasoline additive
UsesThe solvent of 1-Nitropropane is mainly used coatings, inks and separation processes.
UsesSolvent, chemical synthesis, rocket propellant, gasoline additive.
DefinitionChEBI: 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 Methods1-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).
HazardFlammable, moderate fire risk, moderate explosion hazard when shocked or heated. Liver damage, eye and upper respiratory tract irritant. Questionable carcinogen.
Health HazardHumans 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 uses1-Nitropropane is used as a solvent for cellulose acetate, vinyl resins and lacquers. It is also used as a gasoline additive (HSDB 1988).
Safety ProfilePoison 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 Exposure1-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)
Metabolism1-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.
ShippingUN2608 Nitropropanes, Hazard Class: 3; Labels: 3-Flammable liquid.
Purification MethodsPurify it as for nitromethane. [Beilstein 1 IV 229.]
Incompatibilities1-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.
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