4-(2-Benzoyl-4-chlorophenyl)-5-methyl-4H-1,2,4-triazole-3-carboxaldehyde

CAS Registry Number®

36916-20-8

CAS Name

4-(2-Benzoyl-4-chlorophenyl)-5-methyl-4H-1,2,4-triazole-3-carboxaldehyde

Molecular Formula

C17H12ClN3O2

Molecular Mass

325.75

Cite this Page

4-(2-Benzoyl-4-chlorophenyl)-5-methyl-4H-1,2,4-triazole-3-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36916-20-8 (retrieved 2024-11-24) (CAS RN: 36916-20-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110.5-112.5 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C17H12ClN3O2/c1-11-19-20-16(10-22)21(11)15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

InChIKey=XCXMEYSBBHIZEF-UHFFFAOYSA-N

SMILES

C(=O)(C1=C(C=CC(Cl)=C1)N2C(C=O)=NN=C2C)C3=CC=CC=C3

Canonical SMILES

O=CC1=NN=C(N1C2=CC=C(Cl)C=C2C(=O)C=3C=CC=CC3)C

Other Names for this Substance

  • 4H-1,2,4-Triazole-3-carboxaldehyde, 4-(2-benzoyl-4-chlorophenyl)-5-methyl-
  • 4-(2-Benzoyl-4-chlorophenyl)-5-methyl-4H-1,2,4-triazole-3-carboxaldehyde

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