α-Chloro-p-toluoyl chloride

876-08-4

CAS Name

4-(Chloromethyl)benzoyl chloride

Molecular Formula

C₈H₆Cl₂O

Molecular Mass

189.04

Compound Properties

• Boiling Point (1)

  150-155 °C @ Press: 22 Torr

• Melting Point (1)

  30-31 °C

• Density (2)

  1.3034 g/cm³ @ Temp: 50 °C

Source(s)

• (1) Emerson, Wm. S.; Journal of the American Chemical Society, (1950), 72, 5152-4, CAplus
• (2) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2

InChIKey

InChIKey=RCOVTJVRTZGSBP-UHFFFAOYSA-N

SMILES

C(Cl)(=O)C1=CC=C(CCl)C=C1

Canonical SMILES

O=C(Cl)C1=CC=C(C=C1)CCl

Other Names for this Substance