Benzothiazole,2-bromo-4-chloro- supplier

Name
2-BROMO-4-CHLOROBENZOTHIAZOLE
EINECS 222-822-0
CAS No. 3622-40-0
Article Data8
CAS DataBase
Density 1.849 g/cm³
Solubility
Melting Point 107-108 °C
Formula C₇H₃BrClNS
Boiling Point 330.5 °C at 760mmHg
Molecular Weight 248.531
Flash Point 153.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-4-chlorobenzothiazole;NSC 523841;
PSA 41.13000
LogP 3.71220

Benzothiazole,2-bromo-4-chloro- Specification

The Benzothiazole,2-bromo-4-chloro- is an organic compound with the molecular formula C₇H₃BrClNS. Its CAS registry number is 3622-40-0. The IUPAC name of this chemical is called 2-Bromo-4-chloro-1,3-benzothiazole. Its EINECS number is 222-822-0. What's more, the molecular weight of this chemical is 248.53.

Physical properties about Benzothiazole,2-bromo-4-chloro- are: (1)ACD/LogP: 4.17; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 875.62; (6)ACD/BCF (pH 7.4): 875.62; (7)ACD/KOC (pH 5.5): 4443.35; (8)ACD/KOC (pH 7.4): 4443.35; (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^-24 cm³; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.849 g/cm³; (19)Flash Point: 153.7 °C; (20)Enthalpy of Vaporization: 55.04 kJ/mol; (21)Boiling Point: 330.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000318 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cccc1sc(Br)nc12
(2) InChI: InChI=1/C7H3BrClNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H
(3) InChIKey: OYBFKJFWVAZRMI-UHFFFAOYAE

Product Name

2-BROMO-4-CHLOROBENZOTHIAZOLE

Benzothiazole,2-bromo-4-chloro- Specification

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