3-Iodo-4-methylbenzonitrile

CAS Registry Number®

42872-79-7
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CAS Name

3-Iodo-4-methylbenzonitrile

Molecular Formula

C8H6IN

Molecular Mass

243.04

Cite this Page

3-Iodo-4-methylbenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=42872-79-7 (retrieved 2024-04-30) (CAS RN: 42872-79-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H6IN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3

InChIKey

InChIKey=YGXPQBKQVKASBM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzonitrile, 3-iodo-4-methyl-
  • 3-Iodo-4-methylbenzonitrile
  • 3-Iodo-p-tolunitrile

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