CAS No.399-75-7,5-FLUORO-2-METHYLBENZOTHIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	399-75-7
Name:	5-FLUORO-2-METHYLBENZOTHIAZOLE
Article Data:	6

Formula:	C₈H₆FNS
Molecular Weight:	167.207
Synonyms:	5-Fluoro-2-methylbenzothiazole;
Density:	1.319 g/cm³
Boiling Point:	254.5 °C at 760 mmHg
Flash Point:	85 °C
Hazard Symbols:	Xi
PSA:	41.13000
LogP:	2.74380

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Specification

The CAS register number of 5-Fluoro-2-methylbenzothiazole is 399-75-7. It also can be called as Benzothiazole,5-fluoro-2-methyl- and the IUPAC name about this chemical is 5-fluoro-2-methyl-1,3-benzothiazole. The molecular formula about this chemical is C₈H₆FNS and the molecular weight is 167.20. It belongs to the following product categories which include BEnzothiazole; Building Blocks; Heterocyclic Building Blocks; Thiazoles and so on.

Physical properties about 5-Fluoro-2-methylbenzothiazole are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 2.46; (4)ACD/BCF (pH 5.5): 43.4; (5)ACD/BCF (pH 7.4): 43.44; (6)ACD/KOC (pH 5.5): 517.21; (7)ACD/KOC (pH 7.4): 517.62; (8)#H bond acceptors: 1; (9)Polar Surface Area: 41.13Å²; (10)Index of Refraction: 1.635; (11)Molar Refractivity: 45.38 cm³; (12)Molar Volume: 126.7 cm³; (13)Polarizability: 17.99x10^-24cm³; (14)Surface Tension: 47.7 dyne/cm; (15)Flash Point: 85 °C; (16)Enthalpy of Vaporization: 47.2 kJ/mol; (17)Boiling Point: 254.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0276 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2nc(sc2cc1)C
(2)InChI: InChI=1/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
(3)InChIKey: LDBFGRGBYVULTJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
(5)Std. InChIKey: LDBFGRGBYVULTJ-UHFFFAOYSA-N