4-Chloro-3-methylbenzonitrile

CAS Registry Number®

4387-31-9

CAS Name

4-Chloro-3-methylbenzonitrile

Molecular Formula

C8H6ClN

Molecular Mass

151.59

Cite this Page

4-Chloro-3-methylbenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4387-31-9 (retrieved 2024-11-25) (CAS RN: 4387-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    58-60 °C @ Press: 6 x 10-3 Torr

  • Melting Point (1)

    46-47 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6ClN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3

InChIKey

InChIKey=SQISNVXBYZWWBC-UHFFFAOYSA-N

SMILES

C(#N)C1=CC(C)=C(Cl)C=C1

Canonical SMILES

N#CC1=CC=C(Cl)C(=C1)C

Other Names for this Substance

  • Benzonitrile, 4-chloro-3-methyl-
  • m-Tolunitrile, 4-chloro-
  • 4-Chloro-3-methylbenzonitrile

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