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| CAS No.: | 2941-48-2 |
|---|---|
| Name: | Benzothiazole, 2,5-dichloro- (7CI,8CI,9CI) |
| Molecular Structure: | |
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| Formula: | C7H3Cl2NS |
| Molecular Weight: | 204.08 |
| Synonyms: | 2,5-Dichloro-1,3-benzothiazole;2,5-Dichlorobenzothiazole; |
| Density: | 1.568 g/cm3 |
| Melting Point: | 64-66℃ |
| Boiling Point: | 286.775 °C at 760 mmHg |
| Flash Point: | 127.237 °C |
| PSA: | 41.13000 |
| LogP: | 3.60310 |
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Specification
The CAS registry number of 2,5-Dichlorobenzothiazole is 2941-48-2. This chemical's molecular formula is C7H3Cl2NS and molecular weight is 204.0764. What's more, its systematic name is called 2,5-Dichloro-1,3-benzothiazole.
Physical properties about 2,5-Dichlorobenzothiazole are: (1)ACD/LogP: 3.40; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 656; (6)ACD/BCF (pH 7.4): 656; (7)ACD/KOC (pH 5.5): 3613; (8)ACD/KOC (pH 7.4): 3613; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 50.361 cm3; (15)Molar Volume: 130.154 cm3; (16)Polarizability: 19.965×10-24 cm3; (17)Surface Tension: 58.629 dyne/cm; (18)Density: 1.568 g/cm3; (19)Flash Point: 127.237 °C; (20)Enthalpy of Vaporization: 50.481 kJ/mol; (21)Boiling Point: 286.775 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2nc(Cl)sc2cc1
(2) InChI: InChI=1/C7H3Cl2NS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
(3) InChIKey: LHUHAARPMJISMM-UHFFFAOYAL