1H-Benzotriazole,1-chloro- supplier

Name
1-CHLOROBENZOTRIAZOLE
EINECS 244-171-1
CAS No. 21050-95-3
Article Data11
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point 104-106?C
Formula C₆H₄ClN₃
Boiling Point 282 °C at 760 mmHg
Molecular Weight 153.571
Flash Point 124.3 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Chloro-1,2,3-benzotriazole;1-Chloro-1H-benzotriazole;1-Chlorobenzotriazole;N-Chlorobenzotriazole;NSC186037;
PSA 30.71000
LogP 1.43320

1H-Benzotriazole,1-chloro- Specification

The CAS register number of 1H-Benzotriazole,1-chloro- is 21050-95-3. It also can be called as 1-Chloro-1,2,3-benzotriazole and the systematic name about this chemical is 1-chlorobenzotriazole. The molecular formula about this chemical is C₆H₄ClN₃ and the molecular weight is 153.56906.

Physical properties about 1H-Benzotriazole,1-chloro- are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 31.37; (5)ACD/BCF (pH 7.4): 31.37; (6)ACD/KOC (pH 5.5): 410.01; (7)ACD/KOC (pH 7.4): 410.01; (8)#H bond acceptors: 3; (9)Polar Surface Area: 30.71 Å²; (10)Index of Refraction: 1.712; (11)Molar Refractivity: 39.75 cm³; (12)Molar Volume: 101.4 cm³; (13)Polarizability: 15.76x10^-24cm³; (14)Surface Tension: 57.1 dyne/cm; (15)Density: 1.51 g/cm³; (16)Flash Point: 124.3 °C; (17)Enthalpy of Vaporization: 52.08 kJ/mol; (18)Boiling Point: 282 °C at 760 mmHg; (19)Vapour Pressure: 0.00345 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cln2nnc1ccccc12
(2)InChI: InChI=1/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H
(3)InChIKey: INOGLHRUEYDAHX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H
(5)Std. InChIKey: INOGLHRUEYDAHX-UHFFFAOYSA-N

Product Name

1-CHLOROBENZOTRIAZOLE

1H-Benzotriazole,1-chloro- Specification

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