CAS 21050-95-3

1-Chlorobenzotriazole

Description:

1-Chlorobenzotriazole is an organic compound characterized by its triazole ring structure, which is fused to a benzene ring and contains a chlorine substituent. It is typically a white to light yellow crystalline solid that is soluble in organic solvents such as ethanol and acetone but has limited solubility in water. The presence of the chlorine atom enhances its reactivity, making it useful in various chemical applications, including as a corrosion inhibitor and in the synthesis of other organic compounds. 1-Chlorobenzotriazole is also known for its role in the field of materials science, particularly in the development of coatings and polymers. Its chemical properties include the ability to participate in nucleophilic substitution reactions, which can be exploited in synthetic chemistry. Additionally, it is important to handle this compound with care due to its potential toxicity and environmental impact, necessitating appropriate safety measures during its use and disposal.

Formula: C₆H₄ClN₃

InChI: InChI=1/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H

InChI key: InChIKey=INOGLHRUEYDAHX-UHFFFAOYSA-N

SMILES: ClN1C=2C(=CC=CC2)N=N1

Synonyms:

• 1-Chloro-1,2,3-benzotriazole
• 1-Chloro-1H-1,2,3-benzotriazole
• 1-Chloro-benzotriazole
• 1-Chlorobenzotriazole
• 1H-Benzotriazole, 1-chloro-
• Ai3-61733
• N-Chlorobenzotriazole
• Nsc 186037
• 1-Chloro-1H-benzotriazole
• 1-chloro-1H-benzo[d][1,2,3]triazole

1-Chlorobenzotriazole

Controlled Product

CAS: 21050-95-3

Applications Oxidation and chlorination reagent.

Formula: C₆H₄ClN₃

Color and Shape: Neat

Molecular weight: 153.57

Ref: TR-C364535

1-Chlorobenzotriazole

CAS: 21050-95-3

1-Chlorobenzotriazole

Formula: C₆H₄ClN₃

Purity: 97%

Molecular weight: 153.56906

Ref: 54-OR960666

1-Chloro-1H-benzo[d][1,2,3]triazole

CAS: 21050-95-3

Formula: C₆H₄ClN₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 153.57

Ref: 10-F236974

1-Chlorobenzotriazole

CAS: 21050-95-3

1-Chlorobenzotriazole is a nucleophilic reagent that can be used in analytical chemistry, such as the determination of propranolol hydrochloride. It reacts with phospholipid membranes by transferring a chlorine atom to the hydroxyl group on the lipid molecule. The reaction mechanism is not well understood, but it has been shown that the deuterium isotope effect is not involved in this reaction. 1-Chlorobenzotriazole is unsymmetrical and can react with both acidic and alkaline solutions. Hydrochloric acid is often used to activate this compound, which will then react with an amine group to form an iminium ion. Kinetics data for this compound show that activation energies are required for reactions involving nucleophiles, such as ketones, alcohols, or amines.

Formula: C₆H₄ClN₃

Purity: Min. 95%

Molecular weight: 153.57 g/mol

Ref: 3D-FC20195