CAS 54187-96-1

1-(chloromethyl)-1H-benzotriazole

Description:

1-(Chloromethyl)-1H-benzotriazole is an organic compound characterized by its benzotriazole structure, which consists of a triazole ring fused to a benzene ring. This compound features a chloromethyl group (-CH2Cl) attached to the nitrogen of the triazole, which enhances its reactivity and potential applications in various chemical processes. It is typically a white to light yellow solid and is soluble in organic solvents. The presence of the chloromethyl group makes it a useful intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, benzotriazole derivatives are known for their applications as corrosion inhibitors and UV stabilizers. Safety considerations should be taken into account when handling this compound, as it may pose health risks due to its chlorinated nature. Proper storage and handling protocols are essential to mitigate any potential hazards associated with exposure.

Formula: C₇H₆ClN₃

InChI: InChI=1/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2

SMILES: c1ccc2c(c1)nnn2CCl

Synonyms:

• Chloromethylbezotriazole
• 1-(Chloromethyl)-1H-bezotriazole
• BUTTPARK 84\02-49
• -benzotriazole
• H
• 1-(Chloromethyl)benzotriazole
• 1-(Chloromethyl)-1
• 1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE 98+%
• 1-(Chloromethyl)-1H-benzotriazole 98%
• 1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE

1-(Chloromethyl)-1H-benzotriazole

CAS: 54187-96-1

Formula: C₇H₆ClN₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 167.5956

Ref: IN-DA0032J1

1-(Chloromethyl)-1H-benzo[d][1,2,3]triazole

CAS: 54187-96-1

1-(Chloromethyl)-1H-benzo[d][1,2,3]triazole

Purity: 98%

Molecular weight: 167.60g/mol

Ref: 54-OR95855

1-(Chloromethyl)-1H-benzotriazole

CAS: 54187-96-1

Formula: C₇H₆ClN₃

Purity: >98.0%(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 167.60

Ref: 3B-C1526

1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE

CAS: 54187-96-1

Formula: C₇H₆ClN₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 167.6

Ref: 10-F386961

1-(Chloromethyl)-1H-benzotriazole

CAS: 54187-96-1

1-Chloromethyl-1H-benzotriazole is a water soluble organometallic compound that has been used in wastewater treatment. It is an active methylene that binds to palladium complexes, which are catalysts for the hydrogenation of organic compounds. The x-ray crystal structures for 1-chloromethyl-1H-benzotriazole show that it can form a coordination complex with palladium(II). This complex is nucleophilic and reacts with chloride to form the corresponding chloro complex. The quaternization of 1-chloromethyl-1H benzotriazole is a reaction where one molecule of hydrogen chloride reacts with the methylene group to produce a tertiary amine, which yields chloride as a byproduct. The structural analysis and NMR spectra confirm the presence of protonated chlorine atoms in the molecule.

Formula: C₇H₆ClN₃

Purity: Min. 95%

Molecular weight: 167.6 g/mol

Ref: 3D-ECA18796