2-Bromo-5-fluorobenzo[d]thiazole supplier

Name
2-BROMO-5-FLUOROBENZOTHIAZOLE
EINECS
CAS No. 441715-01-1
Article Data4
CAS DataBase
Density 1.832 g/cm³
Solubility
Melting Point
Formula C₇H₃BrFNS
Boiling Point 298.3 °C at 760 mmHg
Molecular Weight 232.0728
Flash Point 134.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzothiazole, 2-bromo-5-fluoro-;
PSA 41.13000
LogP 3.19790

2-Bromo-5-fluorobenzo[d]thiazole Specification

The 2-Bromo-5-fluorobenzo[d]thiazole, with the CAS registry number 441715-01-1, is also known as Benzothiazole, 2-bromo-5-fluoro-. This chemical's molecular formula is C₇H₃BrFNS and molecular weight is 232.0728. What's more, its systematic name is 2-Bromo-5-fluoro-1, 3-benzothiazole.

Physical properties about 2-Bromo-5-fluorobenzo[d]thiazole are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 338.35; (6)ACD/BCF (pH 7.4): 338.35; (7)ACD/KOC (pH 5.5): 2249.71; (8)ACD/KOC (pH 7.4): 2249.71; (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: 1.687; (14)Molar Refractivity: 48.25 cm³; (15)Molar Volume: 126.6 cm³; (16)Polarizability: 19.12×10^-24 cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.832 g/cm³; (19)Flash Point: 134.2 °C; (20)Enthalpy of Vaporization: 51.67 kJ/mol; (21)Boiling Point: 298.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00227 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc2nc(Br)sc2cc1
(2) InChI: InChI=1/C7H3BrFNS/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H
(3) InChIKey: CRPBXAYZSUWBMX-UHFFFAOYAU

Product Name

2-BROMO-5-FLUOROBENZOTHIAZOLE

2-Bromo-5-fluorobenzo[d]thiazole Specification

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