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Substance Name: Phenacyl bromide
RN: 70-11-1
UNII: 754Y0U325I
InChIKey: LIGACIXOYTUXAW-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Br-O

Molecular Weight

  • 199.0463
 
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Names and Synonyms

Name of Substance

  • Phenacyl bromide

Synonyms

  • 2-Bromoacetophenone
  • Bromomethyl phenyl ketone
  • CCRIS 6892
  • EINECS 200-724-9
  • NSC 9807
  • omega-Bromacetophenone
  • Phenacyl bromide
  • Stauffer 4644
  • UNII-754Y0U325I

Systematic Names

  • 2-Bromoacetophenone
  • Acetophenone, 2-bromo- (8CI)
  • Bromoacetophenone
  • Ethanone, 2-bromo-1-phenyl-

Superlist Names

  • Phenacyl bromide
  • Phenacyl bromide [UN2645] [Poison]
  • UN2645

Registry Numbers

CAS Registry Number

  • 70-11-1

FDA UNII

  • 754Y0U325I

System Generated Number

  • 0000070111

Structure Descriptors

InChI

1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

LIGACIXOYTUXAW-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)CBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 50.5 deg C   EXP
log P (octanol-water) 2.19 (none)   EXP
Water Solubility 597 mg/L 25 EST
Vapor Pressure 0.019 mm Hg 25 EST
Henry's Law Constant 1.13E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.97E-12 cm3/molecule-sec 25 EST

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