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Substance Name: 2,4,5-Trichloroanisole
RN: 6130-75-2
UNII: 7A45S4076Z
InChIKey: SXKBHOQOOGRFJF-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Cl3-O

Molecular Weight

  • 211.475
 
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Names and Synonyms

Name of Substance

  • 2,4,5-Trichloroanisole

Synonyms

  • 2,4,5-Trichloroanisole
  • AI3-09172
  • EINECS 228-099-8
  • NSC 49588
  • UNII-7A45S4076Z

Systematic Names

  • 2,4,5-Trichloroanisole
  • Anisole, 2,4,5-trichloro- (8CI)
  • Benzene, 1,2,4-trichloro-5-methoxy-

Registry Numbers

CAS Registry Number

  • 6130-75-2

FDA UNII

  • 7A45S4076Z

System Generated Number

  • 0006130752

Structure Descriptors

InChI

1S/C7H5Cl3O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3

InChIKey

SXKBHOQOOGRFJF-UHFFFAOYSA-N

Smiles

c1(c(cc(Cl)c(c1)Cl)Cl)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 77.5 deg C   EXP
Boiling Point 254 deg C   EXP
log P (octanol-water) 3.85 (none)   EXP
Water Solubility 19.7 mg/L 25 EST
Vapor Pressure 0.023 mm Hg 25 EST
Henry's Law Constant 1.30E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.12E-12 cm3/molecule-sec 25 EST

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