1-(Phenylmethyl)-1H-1,2,4-triazole

CAS Registry Number®

6085-94-5

CAS Name

1-(Phenylmethyl)-1H-1,2,4-triazole

Molecular Formula

C9H9N3

Molecular Mass

159.19

Cite this Page

1-(Phenylmethyl)-1H-1,2,4-triazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6085-94-5 (retrieved 2024-12-02) (CAS RN: 6085-94-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    115 °C

  • Melting Point (1)

    49 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2

InChIKey

InChIKey=BNWQEHYYXTVKOF-UHFFFAOYSA-N

SMILES

C(C1=CC=CC=C1)N2C=NC=N2

Canonical SMILES

N=1C=NN(C1)CC=2C=CC=CC2

Other Names for this Substance

  • 1H-1,2,4-Triazole, 1-(phenylmethyl)-
  • 1H-1,2,4-Triazole, 1-benzyl-
  • 1-(Phenylmethyl)-1H-1,2,4-triazole
  • 1-Benzyl-s-triazole
  • 1-Benzyl-1,2,4-triazole

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