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CAS No.: | 3507-17-3 |
---|---|
Name: | 2-BROMO-6-CHLORO-BENZOTHIAZOLE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H3BrClNS |
Molecular Weight: | 248.531 |
Synonyms: | 2-Bromo-6-chlorobenzothiazole; |
Density: | 1.849 g/cm3 |
Melting Point: | 99-100 °C |
Boiling Point: | 330.53 °C at 760 mmHg |
Flash Point: | 153.7 °C |
PSA: | 41.13000 |
LogP: | 3.71220 |
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The Benzothiazole,2-bromo-6-chloro- is an organic compound with the molecular formula C7H3BrClNS. Its CAS registry number is 3507-17-3. The IUPAC name of this chemical is called 2-Bromo-6-chloro-1,3-benzothiazole. What's more, the molecular weight of this chemical is 248.53.
Physical properties about Benzothiazole,2-bromo-6-chloro- are: (1)ACD/LogP: 3.68; (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): 369; (6)ACD/BCF (pH 7.4): 369; (7)ACD/KOC (pH 5.5): 2396; (8)ACD/KOC (pH 7.4): 2396; (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: 1.721; (14)Molar Refractivity: 53.156 cm3; (15)Molar Volume: 134.388 cm3; (16)Polarizability: 21.073×10-24 cm3; (17)Surface Tension: 60.486 dyne/cm; (18)Density: 1.849 g/cm3; (19)Flash Point: 153.7 °C; (20)Enthalpy of Vaporization: 55.037 kJ/mol; (21)Boiling Point: 330.53 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1Cl)sc(n2)Br
(2) InChI: InChI=1/C7H3BrClNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
(3) InChIKey: SWCKCAROSKGHBI-UHFFFAOYAU