596701
1-(4-Chlorobenzoyl)-1H-benzotriazole
97%
Synonym(s):
1H-Benzotriazol-1-yl(4-chlorophenyl)methanone
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About This Item
Empirical Formula (Hill Notation):
C13H8ClN3O
CAS Number:
Molecular Weight:
257.68
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
97%
Form:
solid
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
SMILES string
Clc1ccc(cc1)C(=O)n2nnc3ccccc23
InChI key
BLJBQVQHDXUDTE-UHFFFAOYSA-N
assay
97%
form
solid
reaction suitability
reaction type: C-C Bond Formation
mp
135-139 °C (lit.)
Application
Reactant for:
Reactant for synthesis of:
- 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
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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