2-Bromo-6-(trifluoromethoxy)-1,3-benzothiazole supplier

Name
2-BROMO-6-(TRIFLUOROMETHOXY)BENZOTHIAZOLE
EINECS
CAS No. 628725-99-5
Article Data3
CAS DataBase
Density 1.831 g/cm³
Solubility
Melting Point
Formula C₈H₃BrF₃NOS
Boiling Point 289.383 °C at 760 mmHg
Molecular Weight 298.08
Flash Point 128.815 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-6-trifluoromethoxybenzothiazole;
PSA 50.36000
LogP 3.95740

2-Bromo-6-(trifluoromethoxy)-1,3-benzothiazole Specification

2-Bromo-6-(trifluoromethoxy)-1,3-benzothiazole, with the CAS registry number 628725-99-5, is also named as 2-Bromo-6-trifluoromethoxybenzothiazole. This chemical's molecular formula is C₈H₃BrF₃NOS and molecular weight is 298.08. What's more, its systematic name is 2-Bromo-6-(trifluoromethoxy)-1,3-benzothiazole.

Physical properties of 2-Bromo-6-(trifluoromethoxy)-1,3-benzothiazole are: (1)ACD/LogP: 4.127; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 806.34; (6)ACD/BCF (pH 7.4): 806.34; (7)ACD/KOC (pH 5.5): 4188.79; (8)ACD/KOC (pH 7.4): 4188.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.36 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 55.397 cm³; (15)Molar Volume: 162.831 cm³; (16)Polarizability: 21.961×10^-24cm³; (17)Surface Tension: 43.926 dyne/cm; (18)Density: 1.831 g/cm³; (19)Flash Point: 128.815 °C; (20)Enthalpy of Vaporization: 50.749 kJ/mol; (21)Boiling Point: 289.383 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1OC(F)(F)F)sc(n2)Br
(2)Std. InChI: InChI=1S/C8H3BrF3NOS/c9-7-13-5-2-1-4(3-6(5)15-7)14-8(10,11)12/h1-3H
(3)Std. InChIKey: KDMNQLMJVHMDCQ-UHFFFAOYSA-N

Product Name

2-BROMO-6-(TRIFLUOROMETHOXY)BENZOTHIAZOLE

2-Bromo-6-(trifluoromethoxy)-1,3-benzothiazole Specification

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