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Substance Name: Acetic acid, 2-(4-bromophenoxy)-
RN: 1878-91-7
InChIKey: SZEBGAQWWSUOHT-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Br-O3

Molecular Weight

  • 231.044
 
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Names and Synonyms

Synonyms

  • (4-Bromophenoxy)acetic acid
  • Acetic acid, (4-bromophenoxy)-
  • EINECS 217-530-5
  • NSC 65085
  • p-Bromophenoxyacetate
  • p-Bromophenoxyacetic acvid

Systematic Names

  • (4-Bromophenoxy)acetic acid
  • Acetic acid, (4-bromophenoxy)-
  • Acetic acid, (p-bromophenoxy)- (8CI)
  • Acetic acid, 2-(4-bromophenoxy)-

Registry Numbers

CAS Registry Number

  • 1878-91-7

System Generated Number

  • 0001878917

Structure Descriptors

InChI

1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

SZEBGAQWWSUOHT-UHFFFAOYSA-N

Smiles

O=C(O)COc1ccc(cc1)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.13 (none) 25 EXP
log P (octanol-water) 2.45 (none)   EXP
Water Solubility 603 mg/L 25 EST
Vapor Pressure 1.07E-04 mm Hg 25 EST
Henry's Law Constant 6.68E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-11 cm3/molecule-sec 25 EST

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