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Substance Name: 2,3-Xylidine
RN: 87-59-2
UNII: ZD450ABI9X
InChIKey: VVAKEQGKZNKUSU-UHFFFAOYSA-N

Note

  • Carcinogen in hair dyes.

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H11-N

Molecular Weight

  • 121.182
 
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Names and Synonyms

Name of Substance

  • 2,3-Xylidine

Synonyms

  • 2,3-Dimethylaniline
  • 2,3-Dimethylbenzenamine
  • 2,3-Dimethylphenylamine
  • 2,3-Xylylamine
  • 3-Amino-o-xylene
  • 4-12-00-02497 (Beilstein Handbook Reference)
  • Benzenamine, 2,3-dimethyl-
  • Benzene, 1-amino-2,3-dimethyl-
  • BRN 0742174
  • CCRIS 4739
  • EC 201-755-0
  • EINECS 201-755-0
  • HSDB 2091
  • o-Xylidine
  • ortho-Xylidine
  • UNII-ZD450ABI9X

Systematic Names

  • 2,3-Xylidine
  • Benzenamine, 2,3-dimethyl-

Superlist Name

  • Benzenamine, 2,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 87-59-2

FDA UNII

  • ZD450ABI9X

System Generated Number

  • 0000087592

Structure Descriptors

InChI

1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3

InChIKey

VVAKEQGKZNKUSU-UHFFFAOYSA-N

Smiles

c1(c(cccc1N)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 836mg/kg (836mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Proceedings of the Western Pharmacology Society. Vol. 6, Pg. 11, 1963.
rat LD50 oral 933mg/kg (933mg/kg)   National Technical Information Service. Vol. PB214-270,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.50E+01 deg C   EXP
Boiling Point 221.5 deg C   EXP
pKa Dissociation Constant 4.7 (none) 25 EXP
log P (octanol-water) 2.170 (none)   EST
Water Solubility 5050 mg/L 25 EST
Vapor Pressure 0.075 mm Hg 25 EXP
Henry's Law Constant 2.50E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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