1H-Benzotriazole-1-Acetonitrile

Modify Date: 2025-08-25 19:22:32

1H-Benzotriazole-1-Acetonitrile Structure
1H-Benzotriazole-1-Acetonitrile structure
Common Name 1H-Benzotriazole-1-Acetonitrile
CAS Number 111198-08-4 Molecular Weight 158.16000
Density 1.3g/cm3 Boiling Point 370.1ºC at 760 mmHg
Molecular Formula C8H6N4 Melting Point 84-89ºC(lit.)
MSDS N/A Flash Point 177.6ºC

 Names

Name 1H-Benzotriazole-1-Acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3g/cm3
Boiling Point 370.1ºC at 760 mmHg
Melting Point 84-89ºC(lit.)
Molecular Formula C8H6N4
Molecular Weight 158.16000
Flash Point 177.6ºC
Exact Mass 158.05900
PSA 54.50000
LogP 0.95488
Vapour Pressure 1.13E-05mmHg at 25°C
Index of Refraction 1.689

 Safety Information

Hazard Codes Xn: Harmful;
Risk Phrases R20/21/22
Safety Phrases 26-36
HS Code 2933990090

 Synthetic Route

~73%

1H-Benzotriazole-1-Acetonitrile Structure

1H-Benzotriazol...

CAS#:111198-08-4

Literature: Farmaco, , vol. 59, # 8 p. 637 - 644

~80%

1H-Benzotriazole-1-Acetonitrile Structure

1H-Benzotriazol...

CAS#:111198-08-4

Literature: Zeitschrift fur Anorganische und Allgemeine Chemie, , vol. 639, # 12-13 p. 2317 - 2323

~72%

1H-Benzotriazole-1-Acetonitrile Structure

1H-Benzotriazol...

CAS#:111198-08-4

Literature: Journal of Organic Chemistry, , vol. 62, # 18 p. 6210 - 6214

~56%

1H-Benzotriazole-1-Acetonitrile Structure

1H-Benzotriazol...

CAS#:111198-08-4

Literature: Russian Journal of Organic Chemistry, , vol. 39, # 12 p. 1792 - 1796

~48%

1H-Benzotriazole-1-Acetonitrile Structure

1H-Benzotriazol...

CAS#:111198-08-4

Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 781 - 790

 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

MFCD00082568
Benzotriazol-1-ylacetonitrile
2-(benzotriazol-1-yl)acetonitrile
2-(1H-Benzo[d][1,2,3]triazol-1-yl)acetonitrile
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