4-(5-amino-4H-1,2,4-triazol-3-yl)benzonitrile

Modify Date: 2025-11-25 23:54:56

4-(5-amino-4H-1,2,4-triazol-3-yl)benzonitrile Structure
4-(5-amino-4H-1,2,4-triazol-3-yl)benzonitrile structure
Common Name 4-(5-amino-4H-1,2,4-triazol-3-yl)benzonitrile
CAS Number 168893-26-3 Molecular Weight 185.185
Density 1.4±0.1 g/cm3 Boiling Point 496.8±47.0 °C at 760 mmHg
Molecular Formula C9H7N5 Melting Point N/A
MSDS N/A Flash Point 254.2±29.3 °C

 Names

Name 4-(3-Amino-1H-1,2,4-triazol-5-yl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 496.8±47.0 °C at 760 mmHg
Molecular Formula C9H7N5
Molecular Weight 185.185
Flash Point 254.2±29.3 °C
Exact Mass 185.070145
LogP 0.85
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.687
InChIKey WIHAZVZBOZFDFD-UHFFFAOYSA-N
SMILES N#Cc1ccc(-c2nc(N)n[nH]2)cc1

 Synonyms

4-(3-Amino-1H-1,2,4-triazol-5-yl)benzonitrile
4-(5-amino-4H-1,2,4-triazol-3-yl)benzonitrile
MFCD09811672
Benzonitrile, 4-(3-amino-1H-1,2,4-triazol-5-yl)-
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