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| CAS No.: | 21050-95-3 |
|---|---|
| Name: | 1-CHLOROBENZOTRIAZOLE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H4ClN3 |
| Molecular Weight: | 153.571 |
| Synonyms: | 1-Chloro-1,2,3-benzotriazole;1-Chloro-1H-benzotriazole;1-Chlorobenzotriazole;N-Chlorobenzotriazole;NSC186037; |
| EINECS: | 244-171-1 |
| Density: | 1.51 g/cm3 |
| Melting Point: | 104-106?C |
| Boiling Point: | 282 °C at 760 mmHg |
| Flash Point: | 124.3 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 30.71000 |
| LogP: | 1.43320 |
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- Total:29 Page 1 of 1 1
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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