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CAS No.: | 159870-86-7 |
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Name: | 2-CHLORO-6-(TRIFLUOROMETHYL)BENZOTHIAZOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H3ClF3NS |
Molecular Weight: | 237.63 |
Synonyms: | 2-Chloro-6-trifluoromethyl-1,3-benzothiazole;2-Chloro-6-(trifluoromethyl)benzothiazole; |
Density: | 1.566 g/cm3 |
Boiling Point: | 257.501 °C at 760 mmHg |
Flash Point: | 109.533 °C |
Appearance: | pale yellow brown powder |
PSA: | 41.13000 |
LogP: | 3.96850 |
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The Benzothiazole,2-chloro-6-(trifluoromethyl)- is an organic compound with the formula C8H3ClF3NS. The systematic name of this chemical is 2-Chloro-6-(trifluoromethyl)-1,3-benzothiazole. With the CAS registry number 159870-86-7, it is also named as 2-Chloro-6-(trifluoromethyl)benzothiazole. Besides, its molecular weight is 237.63.
Physical properties about Benzothiazole,2-chloro-6-(trifluoromethyl)- are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 630; (5)ACD/BCF (pH 7.4): 630; (6)ACD/KOC (pH 5.5): 3509; (7)ACD/KOC (pH 7.4): 3509; (8)#H bond acceptors: 1; (9)Polar Surface Area: 41.13 Å2; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 50.446 cm3; (12)Molar Volume: 151.714 cm3; (13)Polarizability: 19.998×10-24 cm3; (14)Surface Tension: 39.979 dyne/cm; (15)Density: 1.566 g/cm3; (16)Flash Point: 109.533 °C; (17)Enthalpy of Vaporization: 47.507 kJ/mol; (18)Boiling Point: 257.501 °C at 760 mmHg; (19)Vapour Pressure: 0.023 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H3ClF3NS/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h1-3H
(2)InChIKey: YIRRVMGAKFESLR-UHFFFAOYAR
(3)Std. InChI: InChI=1S/C8H3ClF3NS/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h1-3H
(4)Std. InChIKey: YIRRVMGAKFESLR-UHFFFAOYSA-N