CAS No.133840-96-7,2-Chloro-6-(trifluoromethoxy)-benzothiazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133840-96-7
Name:	2-Chloro-6-(trifluoromethoxy)-benzothiazole
Article Data:	9

Formula:	C₈H₃ClF₃NOS
Molecular Weight:	253.632
Synonyms:	2-Chloro-6-(trifluoromethoxy)benzothiazole;
Density:	1.599 g/cm³
Boiling Point:	250.786 °C at 760 mmHg
Flash Point:	105.472 °C
PSA:	50.36000
LogP:	3.84830

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Specification

This chemical is called 2-Chloro-6-(trifluoromethoxy)-benzothiazole, and its systematic name is 2-chloro-6-(trifluoromethoxy)-1,3-benzothiazole. With the molecular formula of C₈H₃ClF₃NOS, its molecular weight is 253.63. The CAS registry number of this chemical is 133840-96-7.

Other characteristics of the 2-Chloro-6-(trifluoromethoxy)-benzothiazole can be summarised as followings: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1222; (6)ACD/BCF (pH 7.4): 1222; (7)ACD/KOC (pH 5.5): 5641; (8)ACD/KOC (pH 7.4): 5641; (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: 1.578; (14)Molar Refractivity: 52.602 cm³; (15)Molar Volume: 158.597 cm³; (16)Polarizability: 20.853×10^-24cm³; (17)Surface Tension: 42.344 dyne/cm; (18)Density: 1.599 g/cm³; (19)Flash Point: 105.472 °C; (20)Enthalpy of Vaporization: 46.833 kJ/mol; (21)Boiling Point: 250.786 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)Oc1ccc2nc(Cl)sc2c1
2.InChI: InChI=1/C8H3ClF3NOS/c9-7-13-5-2-1-4(3-6(5)15-7)14-8(10,11)12/h1-3H
3.InChIKey: PPGSYGPSOLZOOU-UHFFFAOYAS