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Substance Name: 2-Chloro-4-anisidine
RN: 5345-54-0
InChIKey: XQVCBOLNTSUFGD-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H8-Cl-N-O

Molecular Weight

  • 157.599
 
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Names and Synonyms

Name of Substance

  • 2-Chloro-4-anisidine

Synonyms

  • 2-Chloro-4-aminoanisole
  • 3-13-00-01180 (Beilstein Handbook Reference)
  • 3-Chloro-4-methoxyaniline
  • 3-Chloro-4-methoxybenzenamine
  • 3-Chloro-para-anisidine (NH2=1)
  • 3-Chloroanisidine
  • BRN 0879162
  • EINECS 226-298-4
  • NSC 1706
  • OCPA
  • Orthochloroparanisidine

Systematic Names

  • 3-Chloro-p-anisidine
  • Benzenamine, 3-chloro-4-methoxy- (9CI)
  • p-Anisidine, 3-chloro-

Registry Numbers

CAS Registry Number

  • 5345-54-0

System Generated Number

  • 0005345540

Structure Descriptors

InChI

1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3

InChIKey

XQVCBOLNTSUFGD-UHFFFAOYSA-N

Smiles

c1(c(cc(N)cc1)Cl)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 670mg/kg (670mg/kg) LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Toxicological European Research. Vol. 2, Pg. 77, 1979.
mouse LD50 oral 650mg/kg (650mg/kg) LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Toxicological European Research. Vol. 2, Pg. 77, 1979.
rat LD50 intraperitoneal 510mg/kg (510mg/kg) LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Toxicological European Research. Vol. 2, Pg. 77, 1979.
rat LD50 oral 550mg/kg (550mg/kg) LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Toxicological European Research. Vol. 2, Pg. 77, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 50-55 deg C   EXP
log P (octanol-water) 1.85 (none)   EXP
Water Solubility 1850 mg/L 25 EST
Vapor Pressure 0.013 mm Hg 25 EST
Henry's Law Constant 8.35E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.63E-11 cm3/molecule-sec 25 EST

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