1H-1,2,4-Triazol-1-ylacetonitrile

Modify Date: 2024-01-15 10:27:22

1H-1,2,4-Triazol-1-ylacetonitrile Structure
1H-1,2,4-Triazol-1-ylacetonitrile structure
Common Name 1H-1,2,4-Triazol-1-ylacetonitrile
CAS Number 81606-79-3 Molecular Weight 108.101
Density 1.3±0.1 g/cm3 Boiling Point 312.9±44.0 °C at 760 mmHg
Molecular Formula C4H4N4 Melting Point 55-58ºC
MSDS N/A Flash Point 143.0±28.4 °C

 Names

Name 2-(1H-1,2,4-Triazol-1-yl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 312.9±44.0 °C at 760 mmHg
Melting Point 55-58ºC
Molecular Formula C4H4N4
Molecular Weight 108.101
Flash Point 143.0±28.4 °C
Exact Mass 108.043594
PSA 54.50000
LogP -1.38
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.634

 Safety Information

Hazard Codes Xi
RIDADR UN 3439
HS Code 2933990090

 Synthetic Route

~72%

1H-1,2,4-Triazol-1-ylacetonitrile Structure

1H-1,2,4-Triazo...

CAS#:81606-79-3

Literature: Gao, Ye; Gao, Haixiang; Piekarski, Crystal; Shreeve, Jean'ne M. European Journal of Inorganic Chemistry, 2007 , # 31 p. 4965 - 4972

~33%

1H-1,2,4-Triazol-1-ylacetonitrile Structure

1H-1,2,4-Triazo...

CAS#:81606-79-3

Literature: Terpigorev, A. N.; Shcherbinin, M. B.; Bazanov, A. G.; Tselinskii, I. V. Journal of Organic Chemistry USSR (English Translation), 1982 , vol. 18, # 2 p. 407 Zhurnal Organicheskoi Khimii, 1982 , vol. 18, # 2 p. 463

~50%

1H-1,2,4-Triazol-1-ylacetonitrile Structure

1H-1,2,4-Triazo...

CAS#:81606-79-3

Literature: De la Hoz, Antonio; Blasco, Hector; Diaz-Ortiz, Angel; Elguero, Jose; Foces-Foces, Concepcion; Moreno, Andres; Sanchez-Migallon, Ana; Valiente, Gema New Journal of Chemistry, 2002 , vol. 26, # 7 p. 926 - 932

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1H-1,2,4-Triazol-1-ylacetonitrile
1H-1,2,4-Triazole-1-acetonitrile
2-(1,2,4-triazol-1-yl)acetonitrile