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Substance Name: 2,4,6-Tribromoanisole
RN: 607-99-8
UNII: DO7M3M4LX5
InChIKey: YXTRCOAFNXQTKL-UHFFFAOYSA-N

Note

  • Produced by O-methylation of its direct precursor, 2,4,6-tribromophenol, generally comes from sources in the winery environment.

Molecular Formula

  • C7-H5-Br3-O

Molecular Weight

  • 344.828
 
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Names and Synonyms

Name of Substance

  • 2,4,6-Tribromoanisole

Synonyms

  • 2,4,6-TBA
  • 2,4,6-Tribromoanisole
  • AI3-00641
  • Anisole, 2,4,6-tribromo-
  • Benzene, 1,3,5-tribromo-2-methoxy-
  • HSDB 7814
  • Methyl 2,4,6-tribromophenyl ether
  • NSC 2218
  • UNII-DO7M3M4LX5

Systematic Name

  • Benzene, 1,3,5-tribromo-2-methoxy-

Registry Numbers

CAS Registry Number

  • 607-99-8

FDA UNII

  • DO7M3M4LX5

System Generated Number

  • 0000607998

Structure Descriptors

InChI

1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3

InChIKey

YXTRCOAFNXQTKL-UHFFFAOYSA-N

Smiles

c1(c(cc(Br)cc1Br)Br)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 88 deg C   EXP
Boiling Point 298 deg C   EXP
log P (octanol-water) 4.48 (none)   EXP
Water Solubility 0.994 mg/L 25 EST
Vapor Pressure 6.44E-04 mm Hg 25 EST
Henry's Law Constant 2.02E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-12 cm3/molecule-sec 25 EST

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