3-Ethynyl-5-fluorobenzonitrile

CAS Registry Number®

872122-56-0

CAS Name

3-Ethynyl-5-fluorobenzonitrile

Molecular Formula

C9H4FN

Molecular Mass

145.13

Cite this Page

3-Ethynyl-5-fluorobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=872122-56-0 (retrieved 2024-11-22) (CAS RN: 872122-56-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    56-57 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H4FN/c1-2-7-3-8(6-11)5-9(10)4-7/h1,3-5H

InChIKey

InChIKey=LVUGFKAMNCTGTR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzonitrile, 3-ethynyl-5-fluoro-
  • 3-Ethynyl-5-fluorobenzonitrile

CAS INSIGHTSTM
Targeted protein degrader structure, illustration