596701

1-(4-Chlorobenzoyl)-1H-benzotriazole

97%

• Synonym(s): 1H-Benzotriazol-1-yl(4-chlorophenyl)methanone
• Empirical Formula (Hill Notation): C₁₃H₈ClN₃O
• CAS Number: 4231-70-3
• Molecular Weight: 257.68
• MDL number: MFCD00475616
• UNSPSC Code: 12352005
• PubChem Substance ID: 24881647
• NACRES: NA.22

Properties

• assay: 97%
• form: solid
• reaction suitability: reaction type: C-C Bond Formation
• mp: 135-139 °C (lit.)
• SMILES string: Clc1ccc(cc1)C(=O)n2nnc3ccccc23
• InChI: 1S/C13H8ClN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H
• InChI key: BLJBQVQHDXUDTE-UHFFFAOYSA-N

Description

Application

Reactant for:

• Acylation of sodium azide with N-acylbenzotiazoles
• Gas-phase thermolysis
• Chemoselective reduction

Reactant for synthesis of:

• Diketone oximes by phenylation
• Amides by acylation of amines
• 1,2-Diketones by coupling of N-acylbenzotriazoles

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves