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54187-96-1

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54187-96-1 Structure

54187-96-1 Structure
IdentificationBack Directory
[Name]

1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE
[CAS]

54187-96-1
[Synonyms]

BUTTPARK 84\02-49
Chloromethylbezotriazole
1-(Chloromethyl)benzotriazole
1-(Chloromethyl)-1H-bezotriazole
1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE
1-(Chloromethyl)-1H-benzotriazole 98%
1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE 98+%
1-(Chloromethyl)-1H-benzotriazole
[Molecular Formula]

C7H6ClN3
[MDL Number]

MFCD00216649
[MOL File]

54187-96-1.mol
[Molecular Weight]

167.6
Chemical PropertiesBack Directory
[Melting point ]

136-139 °C(lit.)
[Boiling point ]

305.9±25.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

powder to crystal
[pka]

1.13±0.30(Predicted)
[color ]

White to Almost white
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

34
[Safety Statements ]

26-27-36/37/39-45
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[HS Code ]

2933.99.8290
[HazardClass ]

8
[PackingGroup ]

II
Hazard InformationBack Directory
[Uses]

1-(Chloromethyl)-1H-benzotriazole can be used as a reactant:
  • In Gewald cyclocondensation reactions.
  • To prepare N-(benzotriazol-1-ylmethyl) heterocycles by reacting with nitrogen heterocycles.
  • To synthesize palladium complexes for applications in Heck and Suzuki-Miyaura C-C coupling reactions.
  • In the synthesis of 2,3-disubstituted benzofurans by treating with o-hydroxyphenyl ketones.

Spectrum DetailBack Directory
[Spectrum Detail]

1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE(54187-96-1)MS
1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE(54187-96-1)1HNMR
1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE(54187-96-1)13CNMR
1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE(54187-96-1)IR1
1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE(54187-96-1)IR2
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