3CB

CAS Registry Number®

58743-76-3
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CAS Name

3CB

Molecular Formula

C16H15N

Molecular Mass

221.30

Cite this Page

3CB.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58743-76-3 (retrieved 2024-05-19) (CAS RN: 58743-76-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    165-170 °C @ Press: 2 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3

InChIKey

InChIKey=XFMPTZWVMVMELB-UHFFFAOYSA-N

SMILES

C(CC)C1=CC=C(C=C1)C2=CC=C(C#N)C=C2

Canonical SMILES

N#CC=1C=CC(=CC1)C2=CC=C(C=C2)CCC

Other Names for this Substance

  • [1,1′-Biphenyl]-4-carbonitrile, 4′-propyl-
  • 4′-Propyl[1,1′-biphenyl]-4-carbonitrile
  • 4′-Propyl-4-cyanobiphenyl
  • 3CB
  • CB 3

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