1-(Chloromethyl)-1H-benzotriazole

Modify Date: 2025-08-25 12:34:12

1-(Chloromethyl)-1H-benzotriazole Structure
1-(Chloromethyl)-1H-benzotriazole structure
Common Name 1-(Chloromethyl)-1H-benzotriazole
CAS Number 54187-96-1 Molecular Weight 167.59600
Density 1.42g/cm3 Boiling Point 305.9ºC at 760 mmHg
Molecular Formula C7H6ClN3 Melting Point 136-139ºC(lit.)
MSDS Chinese USA Flash Point 138.8ºC
Symbol GHS05
GHS05
Signal Word Danger

 Names

Name 1-(chloromethyl)benzotriazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 305.9ºC at 760 mmHg
Melting Point 136-139ºC(lit.)
Molecular Formula C7H6ClN3
Molecular Weight 167.59600
Flash Point 138.8ºC
Exact Mass 167.02500
PSA 30.71000
LogP 1.62760
Index of Refraction 1.678
InChIKey VSEROABGEVRIRY-UHFFFAOYSA-N
SMILES ClCn1nnc2ccccc21

 Safety Information

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes C
Risk Phrases 34
Safety Phrases 26-27-36/37/39-45
RIDADR UN 3261 8/PG 2
HS Code 2933990090

 Synthetic Route

~92%

1-(Chloromethyl)-1H-benzotriazole Structure

1-(Chloromethyl...

CAS#:54187-96-1

Literature: Le Borgne, Marc; Na, Young Min; Pagniez, Fabrice; Le Baut, Guillaume; Le Pape, Patrice; Abdala, Hiam Patent: US2004/67998 A1, 2004 ; Location in patent: Page/Page column 23 ;

~96%

1-(Chloromethyl)-1H-benzotriazole Structure

1-(Chloromethyl...

CAS#:54187-96-1

Literature: Katritzky; Ji; Fang; Prakash Journal of Organic Chemistry, 2001 , vol. 66, # 16 p. 5613 - 5615

~%

1-(Chloromethyl)-1H-benzotriazole Structure

1-(Chloromethyl...

CAS#:54187-96-1

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 15 p. 2009 - 2014

~%

1-(Chloromethyl)-1H-benzotriazole Structure

1-(Chloromethyl...

CAS#:54187-96-1

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 10 p. 2613 - 2617

~%

1-(Chloromethyl)-1H-benzotriazole Structure

1-(Chloromethyl...

CAS#:54187-96-1

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 10 p. 2613 - 2617

 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

chloro-methylbenzotriazole
MFCD00216649
1-(ChloroMethyl)-1H-benzotriazole
1-(Chloromethyl)benzotriazole
benzotriazol-1-ylmethyl chloride
N1-chloromethylbenzotriazole
1-(chloromethyl)-1H-benzo[d][1,2,3]triazole
1-chloromethylbenzotriazole
1-(benzotriazol-1-yl)-1-chloromethane
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