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Substance Name: 1-Nitropropane
RN: 108-03-2
UNII: 39W305OW99
InChIKey: JSZOAYXJRCEYSX-UHFFFAOYSA-N

Molecular Formula

  • C3-H7-N-O2

Molecular Weight

  • 89.0933
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Codes

  • TWA (25 ppm); Not classifiable as a human carcinogen
  • TWA 25 ppm (90 mg/m3)

Names and Synonyms

Name of Substance

  • 1-Nitropropane

Synonyms

  • 1-Nitropropane
  • 1-NP
  • AI3-02264
  • CCRIS 1329
  • EC 203-544-9
  • EINECS 203-544-9
  • HSDB 2526
  • NSC 6363
  • UNII-39W305OW99

Systematic Names

  • 1-Nitropropane
  • Propane, 1-nitro-

Superlist Names

  • 1-Nitropropane
  • Propane, 1-nitro-

Registry Numbers

CAS Registry Number

  • 108-03-2

FDA UNII

  • 39W305OW99

Other Registry Number

  • 104306-52-7

System Generated Number

  • 0000108032

Structure Descriptors

InChI

1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3

InChIKey

JSZOAYXJRCEYSX-UHFFFAOYSA-N

Smiles

C([N+](=O)[O-])CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 5000ppm/3H (5000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
human TCLo inhalation 150ppm (150ppm) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976.
mouse LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TREMOR

BEHAVIORAL: GENERAL ANESTHETIC
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(9), Pg. 9, 1967.
rabbit LC50 inhalation 5000ppm/3H (5000ppm)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 404, 1986.
rabbit LD skin > 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0556802,
rabbit LDLo oral 250mg/kg (250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rat LC50 inhalation 3100ppm/8H (3100ppm)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 91, 1974.
rat LD50 oral 455mg/kg (455mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 91, 1974.
rat LDLo intraperitoneal 550mg/kg (550mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Bulletin de la Societe de Pharmacie de Lille. Vol. (4), Pg. 131, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.08E+02 deg C   EXP
Boiling Point 131.1 deg C   EXP
pKa Dissociation Constant 8.98 (none)   EXP
log P (octanol-water) 0.87 (none)   EXP
Water Solubility 1.50E+04 mg/L 25 EXP
Vapor Pressure 10.1 mm Hg 25 EXP
Henry's Law Constant 8.70E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.40E-13 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.