6-Benzothiazolol,2-bromo- supplier

Name
6-Benzothiazolol,2-bromo-(9CI)
EINECS
CAS No. 808755-67-1
Article Data7
CAS DataBase
Density 1.903 g/cm³
Solubility
Melting Point
Formula C₇H₄BrNOS
Boiling Point 373.8 °C at 760 mmHg
Molecular Weight 230.085
Flash Point 179.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-6-hydroxybenzothiazole;
PSA 61.36000
LogP 2.76440

6-Benzothiazolol,2-bromo- Specification

The 6-Benzothiazolol,2-bromo-, with the CAS registry number 808755-67-1, is also known as 2-Bromobenzo[d]thiazol-6-ol. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₇H₄BrNOS and molecular weight is 230.08. What's more, its systematic name is 6-Benzothiazolol,2-bromo-.

Physical properties about 6-Benzothiazolol,2-bromo- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 85.05; (6)ACD/BCF (pH 7.4): 74.7; (7)ACD/KOC (pH 5.5): 836.88; (8)ACD/KOC (pH 7.4): 735; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.36 Å²; (13)Index of Refraction: 1.768; (14)Molar Refractivity: 50.14 cm³; (15)Molar Volume: 120.8 cm³; (16)Surface Tension: 73.5 dyne/cm; (17)Density: 1.903 g/cm³; (18)Flash Point: 179.9 °C; (19)Enthalpy of Vaporization: 64.55 kJ/mol; (20)Boiling Point: 373.8 °C at 760 mmHg; (21)Vapour Pressure: 4.06E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1O)sc(n2)Br
(2) InChI: InChI=1/C7H4BrNOS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H
(3) InChIKey: UYPYMYKTXNNPHA-UHFFFAOYAM

Product Name

6-Benzothiazolol,2-bromo-(9CI)

6-Benzothiazolol,2-bromo- Specification

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