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Substance Name: 2,3,5,6-Tetrachloroanisole
RN: 6936-40-9
UNII: 64764RMB8N
InChIKey: WMMFIDNWZNCBCT-UHFFFAOYSA-N

Molecular Formulas

  • C7-H4-Cl4
  • C7-H4-Cl4-O

Molecular Weight

  • 245.9196
 
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Names and Synonyms

Name of Substance

  • 2,3,5,6-Tetrachloroanisole

Synonyms

  • 2,3,5,6-Tetrachloroanisole
  • AI3-22330
  • EINECS 230-061-0
  • NSC 21468
  • UNII-64764RMB8N

Systematic Names

  • 1,2,4,5-Tetrachloro-3-methoxybenzene
  • Anisole, 2,3,5,6-tetrachloro-
  • Benzene, 1,2,4,5-tetrachloro-3-methoxy- (9CI)

Registry Numbers

CAS Registry Number

  • 6936-40-9

FDA UNII

  • 64764RMB8N

System Generated Number

  • 0006936409

Structure Descriptors

InChI

1S/C7H4Cl4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3

InChIKey

WMMFIDNWZNCBCT-UHFFFAOYSA-N

Smiles

COc1c(c(cc(c1Cl)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 100, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 87-90 deg C   EXP
log P (octanol-water) 4.68 (none)   EXP
Water Solubility 1.82 mg/L 25 EXP
Vapor Pressure 3.19E-03 mm Hg 25 EST
Henry's Law Constant 9.61E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.74E-12 cm3/molecule-sec 25 EST

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