Ethyl 5-bromo-2-cyanobenzoate

CAS Registry Number®

127510-93-4
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CAS Name

Ethyl 5-bromo-2-cyanobenzoate

Molecular Formula

C10H8BrNO2

Molecular Mass

254.08

Cite this Page

Ethyl 5-bromo-2-cyanobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=127510-93-4 (retrieved 2024-08-23) (CAS RN: 127510-93-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    93-96 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H8BrNO2/c1-2-14-10(13)9-5-8(11)4-3-7(9)6-12/h3-5H,2H2,1H3

InChIKey

InChIKey=NJZOBLBNTAIQNG-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=C(C#N)C=CC(Br)=C1

Canonical SMILES

N#CC1=CC=C(Br)C=C1C(=O)OCC

Other Names for this Substance

  • Benzoic acid, 5-bromo-2-cyano-, ethyl ester
  • Ethyl 5-bromo-2-cyanobenzoate