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Substance Name: o-Anisidine
RN: 90-04-0
UNII: NUX042F201
InChIKey: VMPITZXILSNTON-UHFFFAOYSA-N

Molecular Formula

  • C7-H9-N-O

Molecular Weight

  • 123.1541
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reportable Quantity (RQ) = 100 lb
  • TWA (0.5 mg/m3); Skin; Confirmed animal carcinogen with unknown relevance to humans; BEI

Names and Synonyms

Name of Substance

  • 2-Anisidine
  • o-Anisidine

Synonyms

  • 1-Amino-2-methoxybenzene
  • 2-Aminoanisole
  • 2-Anisidine
  • 2-Methoxy-1-aminobenzene
  • 2-Methoxyaniline
  • 2-Methoxybenzenamine
  • 4-13-00-00806 (Beilstein Handbook Reference)
  • AI3-08584
  • Benzenamine, 2-methoxy-
  • BRN 0386210
  • CCRIS 768
  • EC 201-963-1
  • EINECS 201-963-1
  • HSDB 2073
  • NSC 3122
  • o-Aminoanisole
  • o-Anisidine
  • o-Anisylamine
  • o-Methoxyaniline
  • o-Methoxyphenylamine
  • ortho-Aminoanisole
  • ortho-Methoxyaniline
  • ortho-Methoxyphenylamine
  • UNII-NUX042F201

Systematic Names

  • Benzenamine, 2-methoxy-
  • o-Anisidine

Superlist Names

  • Benzenamine, 2-methoxy-
  • o-Aminoanisole
  • o-Anisidine
  • o-Methoxyaniline

Registry Numbers

CAS Registry Number

  • 90-04-0

FDA UNII

  • NUX042F201

Related Registry Number

  • 134-29-2 (hydrochloride)

System Generated Number

  • 0000090040

Structure Descriptors

InChI

1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

InChIKey

VMPITZXILSNTON-UHFFFAOYSA-N

Smiles

COc1ccccc1N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 422mg/kg (422mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 oral 1400mg/kg (1400mg/kg) BLOOD: NORMOCYTIC ANEMIA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BLOOD: OTHER CHANGES
IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 27, Pg. 63, 1982.
rabbit LD50 oral 870mg/kg (870mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BLOOD: NORMOCYTIC ANEMIA

BLOOD: OTHER CHANGES
IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 27, Pg. 63, 1982.
rat LD50 oral 1150mg/kg (1150mg/kg)   Trudy Leningradskogo Sanitarno-Gigienicheskogo Meditsinskogo Instituta. Vol. 128, Pg. 14, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 6.2 deg C   EXP
Boiling Point 224 deg C   EXP
pKa Dissociation Constant 4.53 (none) 25 EXP
log P (octanol-water) 1.18 (none)   EXP
Water Solubility 1.40E+04 mg/L 20 EXP
Henry's Law Constant 9.26E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-10 cm3/molecule-sec 25 EST

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