Basic information Safety Supplier Related

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

Basic information Safety Supplier Related

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile Basic information

Product Name:
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
Synonyms:
  • 4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZONITRILE
  • 4-(1H-1,2,4-TRIAZOLYLMETHYL)BENZONITRILE
  • 4-1-(1,2,4-Triazolyl)-methyl-benzonitril
  • 4-[1-(1,2,4-triazolyl)-methyl]-benzonitrile ( For Letrozole )
  • 4-[1-(1,2,4-triazolyl)-methyl-benzonitrile
  • 4-((1H-1,2,4-triazol-1-yl)methyl)benzonitrile (intermediate of letrozole)
  • 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile 97%
  • 4-[1-(4-CYANOPHENYL)-HYDROXYMETHYL]-BENZONITRILE
CAS:
112809-25-3
MF:
C10H8N4
MW:
184.2
Product Categories:
  • Phenyls & Phenyl-Het
  • Aromatics
  • Heterocycles
  • Phenyls & Phenyl-Het
  • Nitriles
  • (intermediate of letrozole)
  • Aromatics Compounds
  • Intermediate of Letrozole
Mol File:
112809-25-3.mol
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4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile Chemical Properties

Melting point:
69 °C
Boiling point:
412.1±55.0 °C(Predicted)
Density 
1.19±0.1 g/cm3(Predicted)
storage temp. 
2-8°C
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Solid
pka
2.52±0.10(Predicted)
color 
White
InChI
InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2
InChIKey
HQLYWHSJALKYOV-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(CN2C=NC=N2)C=C1
CAS DataBase Reference
112809-25-3(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
10-20/21/22
Safety Statements 
16-22-36/37/39
HS Code 
2933998090
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4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile Usage And Synthesis

Chemical Properties

White Solid

Uses

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile is an intermediate in the synthesis of Letrozole (L330100), an antineoplastic.

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