3-(Bromomethyl)-α,α,5-trimethylbenzeneacetonitrile

CAS Registry Number®

120512-36-9
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CAS Name

3-(Bromomethyl)-α,α,5-trimethylbenzeneacetonitrile

Molecular Formula

C12H14BrN

Molecular Mass

252.15

Cite this Page

3-(Bromomethyl)-α,α,5-trimethylbenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=120512-36-9 (retrieved 2024-04-27) (CAS RN: 120512-36-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14BrN/c1-9-4-10(7-13)6-11(5-9)12(2,3)8-14/h4-6H,7H2,1-3H3

InChIKey

InChIKey=QTVAXNLZYOIFER-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C=1C=C(C=C(C1)CBr)C)(C)C

Other Names for this Substance

  • Benzeneacetonitrile, 3-(bromomethyl)-α,α,5-trimethyl-
  • 3-(Bromomethyl)-α,α,5-trimethylbenzeneacetonitrile
  • 2-(3-Bromomethyl-5-methylphenyl)-2-methylpropionitrile
  • 2-[3-(Bromomethyl)-5-methylphenyl]-2-methylpropanenitrile

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