2-(4-Chlorophenyl)-α-methyl-5-benzoxazoleacetonitrile

CAS Registry Number®

51234-36-7
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CAS Name

2-(4-Chlorophenyl)-α-methyl-5-benzoxazoleacetonitrile

Molecular Formula

C16H11ClN2O

Molecular Mass

282.72

Cite this Page

2-(4-Chlorophenyl)-α-methyl-5-benzoxazoleacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51234-36-7 (retrieved 2024-09-16) (CAS RN: 51234-36-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150-153 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H11ClN2O/c1-10(9-18)12-4-7-15-14(8-12)19-16(20-15)11-2-5-13(17)6-3-11/h2-8,10H,1H3

InChIKey

InChIKey=RBGOLZYAUJDSGL-UHFFFAOYSA-N

SMILES

C(C#N)(C)C=1C=C2C(OC(=N2)C3=CC=C(Cl)C=C3)=CC1

Canonical SMILES

N#CC(C1=CC=C2OC(=NC2=C1)C=3C=CC(Cl)=CC3)C

Other Names for this Substance

  • 5-Benzoxazoleacetonitrile, 2-(4-chlorophenyl)-α-methyl-
  • 2-(4-Chlorophenyl)-α-methyl-5-benzoxazoleacetonitrile
  • 2-[2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile

Deleted or Replaced CAS Registry Numbers

67629-43-0