ChemIDplus A TOXNET DATABASE

Substance Name: Aniline
RN: 62-53-3
InChIKey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-N

Molecular Weight

  • 93.1283
 

Classification Codes

Classification Codes

  • Carcinogens
  • Human Data
  • Mutation data
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 5000 lb
  • Threshold Planning Quantity (TPQ) = 1000 lb
  • TWA 5 ppm (19 mg/m3); skin
  • TWA:2 ppm; skin; Confirmed animal carcinogen with unknown relevance to humans, BEI

Names and Synonyms

Name of Substance

  • Aniline

Synonyms

  • AI3-03053
  • Aminobenzene
  • Aminophen
  • Anilin
  • Anilin [Czech]
  • Anilina
  • Anilina [Italian, Polish]
  • Aniline
  • Aniline oil
  • Anyvim
  • Arylamine
  • Benzenamine
  • Benzene, amino
  • Benzidam
  • Blue Oil
  • C.I. 76000
  • C.I. Oxidation Base 1
  • Caswell No. 051C
  • CCRIS 44
  • CI 76000
  • CI Oxidation Base 1
  • Cyanol
  • EINECS 200-539-3
  • EPA Pesticide Chemical Code 251400
  • HSDB 43
  • Huile d'aniline
  • Huile d'aniline [French]
  • Krystallin
  • Kyanol
  • NCI-C03736
  • Phenylamine
  • RCRA waste number U012
  • UN 1547
  • UNII-SIR7XX2F1K

Systematic Names

  • Aniline
  • Benzenamine

Superlist Names

  • Aniline
  • Aniline (and salts)
  • Aniline and homologs
  • Aniline and homologues
  • Aniline [UN1547] [Poison]
  • Benzenamine
  • RCRA waste no. U012
  • UN1547

Registry Numbers

CAS Registry Number

  • 62-53-3

Other Registry Numbers

  • 146997-94-6
  • 37342-16-8

Related Registry Numbers

  • 142-04-1 (hydrochloride)
  • 17843-02-6 (phosphate [2:1])
  • 20305-50-4 (sulfate)
  • 2424-53-5 (monosulfate)
  • 33921-12-9 (phosphonate [1:1])
  • 37832-42-1 (phosphate [1:1])
  • 45497-73-2 (hydriodide)
  • 53894-37-4 (magnesium[1:1] salt)
  • 542-11-0 (hydrobromide)
  • 542-15-4 (nitrate)
  • 542-16-5 (sulfate [2:1])

System Generated Number

  • 0000062533

Structure Descriptors

InChI

1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

InChIKey

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Smiles

c1(ccccc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 562mg/kg (562mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
Link to PubMed
cat LCLo inhalation 180ppm/8H (180ppm)   U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 4, 1941.
cat LD50 skin 254mg/kg (254mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
cat LDLo oral 100mg/kg (100mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1301, 1935.
cat LDLo subcutaneous 100mg/kg (100mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1301, 1935.
child TDLo oral 3125mg/kg (3125mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS Journal of Toxicology, Clinical Toxicology. Vol. 26, Pg. 357, 1988.
Link to PubMed
dog LD50 oral 195mg/kg (195mg/kg)   National Technical Information Service. Vol. PB214-270,
dog LDLo intravenous 200mg/kg (200mg/kg)   National Technical Information Service. Vol. PB214-270,
dog LDLo skin 1540mg/kg (1540mg/kg)   National Technical Information Service. Vol. PB214-270,
guinea pig LD50 intraperitoneal 100mg/kg (100mg/kg)   Office of Toxic Substances Report. Vol. OTS,
guinea pig LD50 oral 400mg/kg (400mg/kg)   Office of Toxic Substances Report. Vol. OTS,
guinea pig LD50 skin 1290mg/kg (1290mg/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.
Link to PubMed
mammal (species unspecified) LC50 inhalation 2500mg/m3 (2500mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
man LDLo unreported 150mg/kg (150mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
man LDLo unreported 350mg/kg (350mg/kg)   Journal of Industrial Hygiene. Vol. 13, Pg. 87, 1931.
mouse LC50 inhalation 175ppm/7H (175ppm)   National Technical Information Service. Vol. PB214-270,
mouse LD50 intraperitoneal 492mg/kg (492mg/kg)   Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologomeditsinskikh Nauk. Vol. 3, Pg. 91, 1965.
mouse LD50 oral 464mg/kg (464mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 107, 1958.
Link to PubMed
quail LD50 oral 750mg/kg (750mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
Link to PubMed
rabbit LD50 intravenous 64mg/kg (64mg/kg)   National Technical Information Service. Vol. PB214-270,
rabbit LD50 skin 820uL/kg (.82mL/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.
Link to PubMed
rabbit LDLo oral 500mg/kg (500mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1301, 1935.
rabbit LDLo subcutaneous 1gm/kg (1000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Medicina del Lavoro. Industrial Medicine. Vol. 28, Pg. 112, 1937.
rat LCLo inhalation 250ppm/4H (250ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
Link to PubMed
rat LD50 intraperitoneal 420mg/kg (420mg/kg)   Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 15, Pg. 447, 1957.
Link to PubMed
rat LD50 oral 250mg/kg (250mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.
rat LD50 skin 1400mg/kg (1400mg/kg)   Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 15, Pg. 447, 1957.
Link to PubMed

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.00E+00 deg C   EXP
Boiling Point 184.1 deg C   EXP
pKa Dissociation Constant 4.6 (none) 25 EXP
log P (octanol-water) 0.9 (none)   EXP
Water Solubility 3.60E+04 mg/L 25 EXP
Vapor Pressure 0.49 mm Hg 25 EXP
Henry's Law Constant 2.02E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.11E-10 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.