1-Nitropropane | Pharmaceutical Grade | 99.99% Purity | 10mg 20mg 30mg Vials | CAS 108-03-2

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
Shop 1-Nitropropane108-03-2-Detailed Image 1

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
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
Thermal Conductivity 0.161 W/(m·K) at 25 ℃
Merck 14,6626
BRN 506236
Henry's Law Constant 6.11 at 25 °C (static headspace-GC, Welke et al., 1998)
Exposure limits ACGIH:TLV-TWA 25 ppm (91 mg/m3)
OSHA:PEL-TWA 25 ppm (90 mg/m3)
NIOSH:REL-TWA 25 ppm
Dielectric constant 23.239999999999998
Stability: Stable. Flammable. Incompatible with strong bases, strong oxidizing agents.
Cosmetics Ingredients Functions SOLVENT
InChI 1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey JSZOAYXJRCEYSX-UHFFFAOYSA-N
SMILES CCC[N+]([O-])=O
LogP 0.79 at 22℃
Surface tension 29.4mN/m at 20°C
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
RIDADR UN 2608 3/PG 3
OEB A
OEL TWA: 25 ppm (90 mg/m3)
WGK Germany 1
RTECS TZ5075000
Autoignition Temperature 788 °F
TSCA TSCA listed
HazardClass 3
PackingGroup III
HS Code 29042000
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Inhalation
Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Flam. Liq. 3
Hazardous Substances Data 108-03-2(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 455 mg/kg LD50 dermal Rabbit > 2000 mg/kg
IDLH 1,000 ppm
MSDS Information
Provider Language
1-Nitropropane English
SigmaAldrich English
ACROS English
ALFA English

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.
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 ppmv) 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.

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.
Toxics Screening Level The initial threshold screening level (ITSL) for 1-nitropropane is 900 μg/m3 based on an 8-hour averaging time.
References [1] Li He . “Ignition characteristics of 1-Nitropropane: Experimental measurements and kinetic modeling.” Fuel 317 (2022): Article 123385.

1-Nitropropane Preparation Products And Raw materials
Raw materials Nitric acid-->Nitromethane-->Nitroethane-->2-Nitropropane
Preparation Products Isobutyric acid-->Nitroethane-->2-Nitropropane-->4-Fluoro-3-phenoxybenzaldehyde-->1-Cyclohexyl-1-propanone oxime-->N-propylhydroxylamine-->(1-Nitropropyl)benzene-->3-NITRO-3-HEPTENE-->N-acetoxy-N-acetylpropionamide