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Substance Name: 3-Chloroaniline
RN: 108-42-9
UNII: 6GKR52SKIY
InChIKey: PNPCRKVUWYDDST-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C6-H6-Cl-N

Molecular Weight

  • 127.573
 
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Names and Synonyms

Name of Substance

  • 3-Chloroaniline
  • m-Chloroaniline

Synonyms

  • 1-Amino-3-chlorobenzene
  • 3-Chlooranilinen
  • 3-Chlooranilinen [Dutch]
  • 3-Chloroaniline
  • 3-Chlorobenzenamine
  • 3-Chlorophenylamine
  • 3-Cloroaniline
  • 3-Cloroaniline [Italian]
  • AI3-12126
  • Aniline, m-chloro-
  • Benzenamine, 3-chloro-
  • CCRIS 3402
  • EC 203-581-0
  • EINECS 203-581-0
  • Fast Orange GC Base
  • HSDB 2046
  • m-Aminochlorobenzene
  • m-Chloraniline
  • m-Chloroaminobenzene
  • m-Chloroaniline
  • m-Chlorophenylamine
  • meta-Aminochlorobenzene
  • NSC 17581
  • Orange GC Base
  • UNII-6GKR52SKIY

Systematic Names

  • 3-Chloroaniline
  • Aniline, m-chloro-
  • Benzenamine, 3-chloro-
  • m-Chloroaniline

Superlist Name

  • m-Chloroaniline

Registry Numbers

CAS Registry Number

  • 108-42-9

FDA UNII

  • 6GKR52SKIY

Other Registry Number

  • 1083238-51-0

Related Registry Number

  • 141-85-5 (hydrochloride)

System Generated Number

  • 0000108429

Structure Descriptors

InChI

1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

InChIKey

PNPCRKVUWYDDST-UHFFFAOYSA-N

Smiles

c1c(cccc1Cl)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 skin 223mg/kg (223mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
cat LDLo subcutaneous 125mg/kg (125mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Archiv fuer Hygiene und Bakteriologie. Vol. 110, Pg. 12, 1933.
dog LDLo intravenous 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 244, Pg. 387, 1963.
guinea pig LD50 oral 250mg/kg (250mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31(12), Pg. 6, 1966.
guinea pig LD50 skin 100mg/kg (100mg/kg)   Office of Toxic Substances Report. Vol. OTS,
mouse LC50 inhalation 550mg/m3/4H (550mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 34, 1982.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Office of Toxic Substances Report. Vol. OTS,
mouse LD50 oral 334mg/kg (334mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
rat LD50 inhalation 150ppm/4H (150ppm) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
National Technical Information Service. Vol. OTS0555316,
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Office of Toxic Substances Report. Vol. OTS,
rat LD50 oral 256mg/kg (256mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31(12), Pg. 6, 1966.
rat LD50 skin 250mg/kg (250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 34, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.04E+01 deg C   EXP
Boiling Point 230.5 deg C   EXP
pKa Dissociation Constant 3.521 (none)   EXP
log P (octanol-water) 1.88 (none)   EXP
Water Solubility 5400 mg/L 20 EXP
Vapor Pressure 0.054 mm Hg 20 EXP
Henry's Law Constant 1.31E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.57E-11 cm3/molecule-sec 25 EST

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