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Substance Name: Acetyl bromide
RN: 506-96-7
UNII: O18V5XYO0G
InChIKey: FXXACINHVKSMDR-UHFFFAOYSA-N

Classification Code

  • Reportable Quantity (RQ) = 5000 lb

Molecular Formula

  • C2-H3-Br-O

Molecular Weight

  • 122.9487
 
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Names and Synonyms

Name of Substance

  • Acetyl bromide

Synonyms

  • 4-02-00-00398 (Beilstein Handbook Reference)
  • Acetic acid, bromide
  • BRN 1697546
  • EC 208-061-7
  • EINECS 208-061-7
  • Ethanoyl bromide
  • HSDB 663
  • UNII-O18V5XYO0G

Systematic Name

  • Acetyl bromide

Superlist Names

  • Acetyl bromide
  • Acetyl bromide [UN1716] [Corrosive]
  • UN1716

Registry Numbers

CAS Registry Number

  • 506-96-7

FDA UNII

  • O18V5XYO0G

System Generated Number

  • 0000506967

Structure Descriptors

InChI

1S/C2H3BrO/c1-2(3)4/h1H3

InChIKey

FXXACINHVKSMDR-UHFFFAOYSA-N

Smiles

C(C)(=O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 48gm/m3 (48000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.60E+01 deg C   EXP
Boiling Point 76 deg C   EXP
log P (octanol-water) -0.380 (none)   EST
Water Solubility 2.08E+05 mg/L 25 EST
Vapor Pressure 122 mm Hg 25 EXP
Henry's Law Constant 3.91E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.11E-15 cm3/molecule-sec 25 EST

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