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Substance Name: 3-Bromoanisole
RN: 2398-37-0
UNII: 7ZO6TY38WY
InChIKey: PLDWAJLZAAHOGG-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Br-O

Molecular Weight

  • 187.035
 
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Names and Synonyms

Name of Substance

  • 3-Bromoanisole

Synonyms

  • 1-Bromo-3-methoxybenzene
  • 3-Bromoanisole
  • 3-Methoxy-1-bromobenzene
  • 3-Methoxybromobenzene
  • EINECS 219-264-5
  • m-Bromoanisole
  • m-Bromomethoxybenzene
  • m-Bromophenyl methyl ether
  • m-Methoxybromobenzene
  • NSC 82293
  • UNII-7ZO6TY38WY

Systematic Names

  • 3-Bromoanisole
  • Anisole, m-bromo- (8CI)
  • Benzene, 1-bromo-3-methoxy-

Registry Numbers

CAS Registry Number

  • 2398-37-0

FDA UNII

  • 7ZO6TY38WY

System Generated Number

  • 0002398370

Structure Descriptors

InChI

1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

InChIKey

PLDWAJLZAAHOGG-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)Br)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 211 deg C   EXP
log P (octanol-water) 3.03 (none)   EXP
Water Solubility 131 mg/L 25 EST
Vapor Pressure 0.288 mm Hg 25 EST
Henry's Law Constant 1.27E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.44E-11 cm3/molecule-sec 25 EST

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