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Substance Name: p-Bromoacetophenone
RN: 99-90-1
UNII: 7NB3XRY0C6
InChIKey: WYECURVXVYPVAT-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Br-O

Molecular Weight

  • 199.046
 
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Names and Synonyms

Name of Substance

  • 4-Bromoacetophenone
  • p-Bromoacetophenone

Synonyms

  • 4'-Bromoacetophenone
  • AI3-00489
  • EINECS 202-799-3
  • Methyl p-bromophenyl ketone
  • NSC 17541
  • p-Bromophenyl methyl ketone
  • UNII-7NB3XRY0C6

Systematic Names

  • 1-(4-Bromophenyl)ethanone
  • 4'-Bromoacetophenone
  • Acetophenone, 4'-bromo- (8CI)
  • Ethanone, 1-(4-bromophenyl)-

Registry Numbers

CAS Registry Number

  • 99-90-1

FDA UNII

  • 7NB3XRY0C6

System Generated Number

  • 0000099901

Structure Descriptors

InChI

1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChIKey

WYECURVXVYPVAT-UHFFFAOYSA-N

Smiles

c1(C(C)=O)ccc(Br)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 50.5 deg C   EXP
Boiling Point 257 deg C   EXP
log P (octanol-water) 2.43 (none)   EXP
Water Solubility 372 mg/L 25 EST
Vapor Pressure 0.031 mm Hg 25 EST
Henry's Law Constant 3.91E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.22E-12 cm3/molecule-sec 25 EST

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