3-(2H-1,2,3-Triazol-4-yl)benzonitrile

Modify Date: 2025-09-07 11:28:56

3-(2H-1,2,3-Triazol-4-yl)benzonitrile Structure
3-(2H-1,2,3-Triazol-4-yl)benzonitrile structure
 Common Name 3-(2H-1,2,3-Triazol-4-yl)benzonitrile
CAS Number 550364-01-7 Molecular Weight 340.34100
Density N/A Boiling Point N/A
Molecular Formula C18H12N8 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-(2H-1,2,3-Triazol-4-yl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C18H12N8
Molecular Weight 340.34100
Exact Mass 340.11800
PSA 130.72000
LogP 2.68676

 Safety Information

Hazard Codes Xi
HS Code 2933990090

 Synthetic Route

3-[(E)-2-nitroethenyl]benzonitrile structure

3-[(E)-2-nitroe...

CAS#:115665-97-9

~81%

3-(2H-1,2,3-Triazol-4-yl)benzonitrile Structure

3-(2H-1,2,3-Tri...

CAS#:550364-01-7

Literature: Roppe, Jeffrey; Smith, Nicholas D.; Huang, Dehua; Tehrani, Lida; Wang, Bowei; Anderson, Jeffrey; Brodkin, Jesse; Chung, Janice; Jiang, Xiaohui; King, Christopher; Munoz, Benito; Varney, Mark A.; Prasit, Petpiboon; Cosford, Nicholas D. P. Journal of Medicinal Chemistry, 2004 , vol. 47, # 19 p. 4645 - 4648
3-Ethynylbenzonitrile structure

3-Ethynylbenzon...

CAS#:171290-53-2

~54%

3-(2H-1,2,3-Triazol-4-yl)benzonitrile Structure

3-(2H-1,2,3-Tri...

CAS#:550364-01-7

Literature: Roehrig, Ute F.; Majjigapu, Somi Reddy; Grosdidier, Aurelien; Bron, Sylvian; Stroobant, Vincent; Pilotte, Luc; Colau, Didier; Vogel, Pierre; Van Den Eynde, Benoit J.; Zoete, Vincent; Michielin, Olivier Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5270 - 5290
3-Cyanobenzaldehyde structure

3-Cyanobenzaldehyde

CAS#:24964-64-5

~%

3-(2H-1,2,3-Triazol-4-yl)benzonitrile Structure

3-(2H-1,2,3-Tri...

CAS#:550364-01-7

Literature: Roppe, Jeffrey; Smith, Nicholas D.; Huang, Dehua; Tehrani, Lida; Wang, Bowei; Anderson, Jeffrey; Brodkin, Jesse; Chung, Janice; Jiang, Xiaohui; King, Christopher; Munoz, Benito; Varney, Mark A.; Prasit, Petpiboon; Cosford, Nicholas D. P. Journal of Medicinal Chemistry, 2004 , vol. 47, # 19 p. 4645 - 4648
3-(1-hydroxy-2-nitroethyl)benzonitrile structure

3-(1-hydroxy-2-...

CAS#:550364-00-6

~%

3-(2H-1,2,3-Triazol-4-yl)benzonitrile Structure

3-(2H-1,2,3-Tri...

CAS#:550364-01-7

Literature: Roppe, Jeffrey; Smith, Nicholas D.; Huang, Dehua; Tehrani, Lida; Wang, Bowei; Anderson, Jeffrey; Brodkin, Jesse; Chung, Janice; Jiang, Xiaohui; King, Christopher; Munoz, Benito; Varney, Mark A.; Prasit, Petpiboon; Cosford, Nicholas D. P. Journal of Medicinal Chemistry, 2004 , vol. 47, # 19 p. 4645 - 4648
3-Iodobenzonitrile structure

3-Iodobenzonitrile

CAS#:69113-59-3

~%

3-(2H-1,2,3-Triazol-4-yl)benzonitrile Structure

3-(2H-1,2,3-Tri...

CAS#:550364-01-7

Literature: Roehrig, Ute F.; Majjigapu, Somi Reddy; Grosdidier, Aurelien; Bron, Sylvian; Stroobant, Vincent; Pilotte, Luc; Colau, Didier; Vogel, Pierre; Van Den Eynde, Benoit J.; Zoete, Vincent; Michielin, Olivier Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5270 - 5290
3-[(TRIMETHYLSILYL)ETHYNYL]BENZONITRILE structure

3-[(TRIMETHYLSI...

CAS#:190771-22-3

~%

3-(2H-1,2,3-Triazol-4-yl)benzonitrile Structure

3-(2H-1,2,3-Tri...

CAS#:550364-01-7

Literature: Roehrig, Ute F.; Majjigapu, Somi Reddy; Grosdidier, Aurelien; Bron, Sylvian; Stroobant, Vincent; Pilotte, Luc; Colau, Didier; Vogel, Pierre; Van Den Eynde, Benoit J.; Zoete, Vincent; Michielin, Olivier Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5270 - 5290

 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

3-(2H-triazol-4-yl)benzonitrile
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