| Identification | |
| Name: | 5-Bromo-2-chlorobenzothiazole |
| Synonyms: | benzothiazole, 5-bromo-2-chloro-;5-Bromo-2-chloro-1,3-benzothiazole; |
| CAS: | 824403-26-1 |
| Molecular Formula: | C7H3BrClNS |
| Molecular Weight: | 248.53 |
| InChI: | InChI=1/C7H3BrClNS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.849g/cm3 |
| Refractive index: | 1.721 |
| Specification: |
The 5-Bromo-2-chlorobenzothiazole, with the CAS registry number 824403-26-1, has the systematic name of 5-bromo-2-chloro-1,3-benzothiazole. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C7H3BrClNS. The characteristics of 5-Bromo-2-chlorobenzothiazole are as followings: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 893.37; (6)ACD/BCF (pH 7.4): 893.37; (7)ACD/KOC (pH 5.5): 4507.63; (8)ACD/KOC (pH 7.4): 4507.64; (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: 53.15 cm3; (15)Molar Volume: 134.3 cm3; (16)Polarizability: 21.07×10-24cm3; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.849 g/cm3; (19)Flash Point: 140.8 °C; (20)Enthalpy of Vaporization: 52.8 kJ/mol; (21)Boiling Point: 309.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00118 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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