Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Nitropropane
RN: 79-46-9
UNII: GKV234L2QH
InChIKey: FGLBSLMDCBOPQK-UHFFFAOYSA-N

Molecular Formula

  • C3-H7-N-O2

Molecular Weight

  • 89.0933
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Tumor Data
  • Unspecified / Unclassified Pesticide

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb
  • TWA (10 ppm); Confirmed animal carcinogen with unknown relevance to humans
  • TWA 25 ppm (90 mg/m3)

Names and Synonyms

Name of Substance

  • 2-Nitropropane

Synonyms

  • 2-Nitropropane
  • 2-NP
  • AI3-00109
  • beta-Nitropropane
  • CCRIS 453
  • Dimethylnitromethane
  • EC 201-209-1
  • EINECS 201-209-1
  • HSDB 1134
  • Isonitropropane
  • Nipar S-20
  • Nipar S-20 solvent
  • Nipar S-30 solvent
  • Nitroisopropane
  • NSC 5369
  • RCRA waste number U171
  • UNII-GKV234L2QH

Systematic Names

  • 2-Nitropropane
  • Propane, 2-nitro-

Superlist Names

  • 2-Nitropropane
  • Propane, 2-nitro-
  • RCRA waste no. U171

Registry Numbers

CAS Registry Number

  • 79-46-9

FDA UNII

  • GKV234L2QH

Other Registry Number

  • 104306-46-9

System Generated Number

  • 0000079469

Structure Descriptors

InChI

1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

InChIKey

FGLBSLMDCBOPQK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 714ppm/5H (714ppm) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952.
guinea pig LCLo inhalation 4622ppm/5H (4622ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952.
man TCLo inhalation 20ppm (20ppm) GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: ANOREXIA (HUMAN
Industrial Medicine. Vol. 16, Pg. 441, 1947.
mouse LC50 inhalation 10gm/m3/2H (10000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 94, 1982.
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   National Technical Information Service. Vol. AD691-490,
rabbit LCLo inhalation 2381ppm/5H (2381ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 52, 1952.
rabbit LDLo oral 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rat LC50 inhalation 400ppm/6H (400ppm)   Journal of Environmental Pathology and Toxicology. Vol. 2(5), Pg. 233, 1979.
rat LD50 oral 720mg/kg (720mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 430, 1969.
rat LDLo intraperitoneal 1100mg/kg (1100mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Bulletin de la Societe de Pharmacie de Lille. Vol. (2), Pg. 83, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.13E+01 deg C   EXP
Boiling Point 120.2 deg C   EXP
pKa Dissociation Constant 7.68 (none) 25 EXP
log P (octanol-water) 0.93 (none)   EXP
Water Solubility 1.70E+04 mg/L 25 EXP
Vapor Pressure 17.2 mm Hg 25 EXP
Henry's Law Constant 1.19E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.60E-13 cm3/molecule-sec 25 EXP

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