CAS No.107559-02-4,2-METHYL-6-PHENYLBENZOTHIAZOLE Suppliers

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Molecular Structure:
CAS No.:	107559-02-4
Name:	2-METHYL-6-PHENYLBENZOTHIAZOLE
Article Data:	6

Formula:	C₁₄H₁₁NS
Molecular Weight:	225.314
Synonyms:	2-Methyl-6-phenylbenzothiazole;NSC142179;
Density:	1.199 g/cm³
Melting Point:	90-95 °C
Boiling Point:	379.3 °C at 760 mmHg
Flash Point:	187 °C
Appearance:	pale yellow brown powder
Safety:	24/25
PSA:	41.13000
LogP:	4.27170

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Specification

The Benzothiazole, 2-methyl-6-phenyl- is an organic compound with the molecular formula C₁₄H₁₁NS. Its CAS registry number is 107559-02-4. The IUPAC name of this chemical is called 2-Methyl-6-phenyl-1,3-benzothiazole. It belongs to the product category of Benzothiazole. What's more, the molecular weight of this chemical is 225.31. In addition, this chemical should be avoided contacting with skin and eyes. And it should be stored in a cool, dry and sealing place.

Physical properties about Benzothiazole, 2-methyl-6-phenyl- are: (1)ACD/LogP: 4.16; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 41.13 Å²; (7)Index of Refraction: 1.667; (8)Molar Refractivity: 69.98 cm³; (9)Molar Volume: 187.8 cm³; (10)Polarizability: 27.74×10^-24 cm³; (11)Surface Tension: 49.9 dyne/cm; (12)Density: 1.199 g/cm³; (13)Flash Point: 187 °C; (14)Enthalpy of Vaporization: 60.27 kJ/mol; (15)Boiling Point: 379.3 °C at 760 mmHg; (16)Vapour Pressure: 1.29E-05 mmHg at 25 °C.

Preparation of Benzothiazole, 2-methyl-6-phenyl-: this chemical can be prepared by 6-bromo-2-methyl-benzothiazole with phenylzinkchlorid. This reaction needs reagent PdCl₂(dppf) and solvent tetrahydrofuran at temperature of 20 °C. The reaction time is 0.5 hour. The yield is 73 %. The reaction equation is as followed:

Benzothiazole, 2-methyl-6-phenyl- can be prepared by 6-bromo-2-methyl-benzothiazole with phenylzinkchlorid.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c2ccc(cc2sc1C)c3ccccc3
(2) InChI: InChI=1/C14H11NS/c1-10-15-13-8-7-12(9-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
(3) InChIKey: QHLXZULIVMKONH-UHFFFAOYAR