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About This Item
Empirical Formula (Hill Notation):
C13H8ClN3O
CAS Number:
Molecular Weight:
257.68
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
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
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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