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Benzothiazole, 7-bromo- (7CI,8CI)

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Name

Benzothiazole, 7-bromo- (7CI,8CI)

EINECS N/A
CAS No. 767-70-4 Density 1.748 g/cm3
PSA 41.13000 LogP 3.05880
Solubility N/A Melting Point 82 °C
Formula C7H4BrNS Boiling Point 291.493 °C at 760 mmHg
Molecular Weight 214.08236 Flash Point 130.09 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 767-70-4 (Benzothiazole, 7-bromo- (7CI,8CI)) Hazard Symbols N/A
Synonyms

7-Bromobenzothiazole;7-bromo-1,3-benzothiazole;benzothiazole, 7-bromo-;7-Bromobenzothiazole;

Article Data 6

Benzothiazole, 7-bromo- (7CI,8CI) Specification

The Benzothiazole, 7-bromo- (7CI,8CI), with the CAS registry number 767-70-4, has the systematic name of 7-bromo-1,3-benzothiazole. It belongs to the product category of Benzothiazole. And the molecular formula of the chemical is C7H4BrNS.

The characteristics of Benzothiazole, 7-bromo- (7CI,8CI) are as followings: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 77; (6)ACD/BCF (pH 7.4): 77; (7)ACD/KOC (pH 5.5): 777; (8)ACD/KOC (pH 7.4): 777; (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: 1.718; (14)Molar Refractivity: 48.261 cm3; (15)Molar Volume: 122.437 cm3; (16)Polarizability: 19.132×10-24cm3; (17)Surface Tension: 58.706 dyne/cm; (18)Density: 1.748 g/cm3; (19)Flash Point: 130.09 °C; (20)Enthalpy of Vaporization: 50.966 kJ/mol; (21)Boiling Point: 291.493 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cccc2ncsc12
(2)InChI: InChI=1/C7H4BrNS/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H
(3)InChIKey: HIHGDDIOQDNKSV-UHFFFAOYAE

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