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

Modify Date: 2024-01-09 13:11:47

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile Structure
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile structure
 Common Name 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
CAS Number 112809-25-3 Molecular Weight 184.197
Density 1.2±0.1 g/cm3 Boiling Point 412.1±55.0 °C at 760 mmHg
Molecular Formula C10H8N4 Melting Point 69-72ºC
MSDS N/A Flash Point 203.0±31.5 °C

 Names

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

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 412.1±55.0 °C at 760 mmHg
Melting Point 69-72ºC
Molecular Formula C10H8N4
Molecular Weight 184.197
Flash Point 203.0±31.5 °C
Exact Mass 184.074890
PSA 65.36000
LogP 0.55
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.643

 Safety Information

Hazard Codes Xn:Harmful
Risk Phrases R10;R20/21/22
Safety Phrases S16-S22-S36/37/39
HS Code 2933990090

 Synthetic Route

1,2,4-Triazolylsodium structure

1,2,4-Triazolyl...

CAS#:41253-21-8
4-Cyanobenzyl bromide structure

4-Cyanobenzyl b...

CAS#:17201-43-3

~68%

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

4-(1H-1,2,4-Tri...

CAS#:112809-25-3
Literature: US2007/66831 A1, ; Page/Page column 7-8 ;
1,2,4-Triazole structure

1,2,4-Triazole

CAS#:288-88-0
4-Cyanobenzyl bromide structure

4-Cyanobenzyl b...

CAS#:17201-43-3

~54%

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

4-(1H-1,2,4-Tri...

CAS#:112809-25-3
Literature: European Journal of Medicinal Chemistry, , vol. 46, # 9 p. 4010 - 4024
4-Cyanobenzyl bromide structure

4-Cyanobenzyl b...

CAS#:17201-43-3

~%

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

4-(1H-1,2,4-Tri...

CAS#:112809-25-3
Literature: WO2007/107733 A1, ; Page/Page column 13-14; 16-17 ;
1,2,4-Triazole structure

1,2,4-Triazole

CAS#:288-88-0
4-Cyanobenzyl bromide structure

4-Cyanobenzyl b...

CAS#:17201-43-3

~%

4-((4H-1,2,4-Triazol-4-yl)methyl)benzonitrile structure

4-((4H-1,2,4-Tr...

CAS#:112809-27-5
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile Structure

4-(1H-1,2,4-Tri...

CAS#:112809-25-3
Literature: WO2005/47269 A1, ; Page/Page column 7-8 ;
4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride structure

4-(1H-1,2,4-tri...

CAS#:112809-26-4

~%

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

4-(1H-1,2,4-Tri...

CAS#:112809-25-3
Literature: WO2005/47269 A1, ; Page/Page column 7-8 ;

 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

4-[1-(1,2,4-triazolyl)-methyl]-benzonitrile
4-(1H-1,2,4-Triazol-1-ylmethyl)-benzonitrile
Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-
MFCD07368016
4-(1H-1,2,4-TRIAZOLYLMETHYL)BENZONITRILE
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
Letrozole Impurity 3
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Related Compounds: More...
4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile hydrochloride
112809-26-4
4-(1H-1,2,4-Triazol-1-Ylmethyl)Benzoic Acid
160388-54-5
4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZALDEHYDE
859850-94-5
4-(1H-1,2,4-Triazol-1-ylmethyl)aniline
119192-10-8
4-(1H-1,2,4-triazol-1-ylmethyl)phenylhydrazinesulfonic acid
1034806-43-3
[4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]METHANOL
160388-56-7
N-[4-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]thiourea
1189749-60-7
ethyl 4-(1H-1,2,4-triazol-1-ylmethyl)benzoate
160388-64-7
Piperazine, 1-methyl-4-(1H-1,2,4-triazol-1-ylmethyl)- (9CI)
91272-88-7
Chemsrc provides CAS#:112809-25-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile>> amp version: 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

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