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Substance Name: Benzoyl chloride
RN: 98-88-4
UNII: VTY8706W36
InChIKey: PASDCCFISLVPSO-UHFFFAOYSA-N

Note

  • Potential carcinogens in manufacturing process.

Molecular Formula

  • C7-H5-Cl-O

Molecular Weight

  • 140.568
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Ceiling (0.5 ppm); Not classifiable as a human carcinogen
  • Overall Carcinogenic Evaluation: Group 2A
  • Reportable Quantity (RQ) = 1000 lb

Names and Synonyms

Name of Substance

  • Benzoyl chloride

Synonyms

  • 4-09-00-00721 (Beilstein Handbook Reference)
  • alpha-Chlorobenzaldehyde
  • Benzaldehyde, alpha-chloro-
  • Benzenecarbonyl chloride
  • Benzoic acid, chloride
  • Benzoyl chloride
  • BRN 0471389
  • CCRIS 802
  • EC 202-710-8
  • EINECS 202-710-8
  • HSDB 383
  • UNII-VTY8706W36

Systematic Name

  • Benzoyl chloride

Superlist Names

  • Benzoyl chloride
  • Benzoyl chloride [UN1736] [Corrosive]
  • UN1736

Registry Numbers

CAS Registry Number

  • 98-88-4

FDA UNII

  • VTY8706W36

Other Registry Numbers

  • 1258517-80-4
  • 1640987-68-3

System Generated Number

  • 0000098884

Structure Descriptors

InChI

1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChIKey

PASDCCFISLVPSO-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 2ppm/1M (2ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
"Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 31, 1961.
rat LC50 inhalation 1870mg/m3/2H (1870mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
rat LD50 oral 1900mg/kg (1900mg/kg)   Office of Toxic Substances Report. Vol. FYI-OTS-1180-0107,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1 deg C   EXP
Boiling Point 197.2 deg C   EXP
log P (octanol-water) 1.440 (none)   EST
Water Solubility 4940 mg/L 25 EST
Henry's Law Constant 1.23E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-12 cm3/molecule-sec 25 EST

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