4-Chloro-α-(1-methylethyl)benzeneacetonitrile

CAS Registry Number®

2012-81-9
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CAS Name

4-Chloro-α-(1-methylethyl)benzeneacetonitrile

Molecular Formula

C11H12ClN

Molecular Mass

193.67

Cite this Page

4-Chloro-α-(1-methylethyl)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2012-81-9 (retrieved 2024-06-21) (CAS RN: 2012-81-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    109 °C @ Press: 0.8 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3

InChIKey

InChIKey=RBGSZIRWNWQDOK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, 4-chloro-α-(1-methylethyl)-
  • Butyronitrile, 2-(p-chlorophenyl)-3-methyl-
  • 4-Chloro-α-(1-methylethyl)benzeneacetonitrile
  • 2-(p-Chlorophenyl)-3-methylbutyronitrile
  • 4-Chloro-α-isopropylbenzyl cyanide

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Deleted or Replaced CAS Registry Numbers

81951-76-0

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