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Substance Name: m-Toluoyl chloride
RN: 1711-06-4
UNII: W2VJW4350K
InChIKey: YHOYYHYBFSYOSQ-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl-O

Molecular Weight

  • 154.5953
 
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Names and Synonyms

Name of Substance

  • m-Toluoyl chloride

Synonyms

  • 3-Methylbenzoyl chloride
  • 3-Toluoyl chloride
  • 4-09-00-01716 (Beilstein Handbook Reference)
  • BRN 0878419
  • CCRIS 8619
  • EINECS 216-976-8
  • m-Methylbenzoyl chloride
  • m-Toluoyl chloride
  • m-Toluyl chloride
  • Meta methyl benzoyl chloride
  • NSC 97207
  • Toluoyl chloride
  • UNII-W2VJW4350K

Systematic Names

  • Benzoyl chloride, 3-methyl-
  • m-Toluoyl chloride

Registry Numbers

CAS Registry Number

  • 1711-06-4

FDA UNII

  • W2VJW4350K

System Generated Number

  • 0001711064

Structure Descriptors

InChI

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

InChIKey

YHOYYHYBFSYOSQ-UHFFFAOYSA-N

Smiles

Cc1cccc(c1)C(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1860mg/kg (1860mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(7), Pg. 93, 1990.
rat LD50 oral 3440mg/kg (3440mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(7), Pg. 93, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.30E+01 deg C   EXP
Boiling Point 219.5 deg C   EXP
log P (octanol-water) 1.980 (none)   EST
Atmospheric OH Rate Constant 2.31E-12 cm3/molecule-sec 25 EST

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