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Substance Name: 4-Methylbenzoyl chloride
RN: 874-60-2
UNII: 092E36PWL4
InChIKey: NQUVCRCCRXRJCK-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl-O

Molecular Weight

  • 154.595
 
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Names and Synonyms

Name of Substance

  • 4-Methylbenzoyl chloride

Synonyms

  • 4-09-00-01733 (Beilstein Handbook Reference)
  • 4-Methylbenzoic acid chloride
  • 4-Methylbenzoyl chloride
  • 4-Toluoyl chloride
  • BRN 0471492
  • CCRIS 8620
  • EINECS 212-864-8
  • p-Methylbenzoyl chloride
  • p-Toluic acid chloride
  • p-Toluyl chloride
  • UNII-092E36PWL4

Systematic Names

  • Benzoyl chloride, 4-methyl-
  • p-Toluoyl chloride

Registry Numbers

CAS Registry Number

  • 874-60-2

FDA UNII

  • 092E36PWL4

System Generated Number

  • 0000874602

Structure Descriptors

InChI

1S/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3

InChIKey

NQUVCRCCRXRJCK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04246,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.00E+00 deg C   EXP
Boiling Point 226 deg C   EXP
log P (octanol-water) 1.980 (none)   EST
Atmospheric OH Rate Constant 4.78E-12 cm3/molecule-sec 25 EST

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