CAS No.62248-12-8,Benzothiazole, 4,6-dichloro-2-methyl- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62248-12-8
Name:	Benzothiazole, 4,6-dichloro-2-methyl- (9CI)

Formula:	C₈H₅Cl₂NS
Molecular Weight:	218.106
Synonyms:	NSC 142133;
Density:	1.489 g/cm³
Boiling Point:	311.5 °C at 760mmHg
Flash Point:	142.2 °C
PSA:	41.13000
LogP:	3.91150

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Specification

The Benzothiazole,4,6-dichloro-2-methyl- is an organic compound with the molecular formula C₈H₅Cl₂NS. Its CAS registry number is 62248-12-8. The IUPAC name of this chemical is called 4,6-Dichloro-2-methyl-1,3-benzothiazole. It belongs to the product category of Benzothiazole. What's more, the molecular weight of this chemical is 218.103.

Physical properties about Benzothiazole,4,6-dichloro-2-methyl- are: (1)ACD/LogP: 3.61; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 41.13 Å²; (7)Index of Refraction: 1.677; (8)Molar Refractivity: 55.18 cm³; (9)Molar Volume: 146.4 cm³; (10)Polarizability: 21.87×10^-24 cm³; (11)Surface Tension: 54.4 dyne/cm; (12)Density: 1.489 g/cm³; (13)Flash Point: 142.2 °C; (14)Enthalpy of Vaporization: 53.04 kJ/mol; (15)Boiling Point: 311.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00103 mmHg at 25 °C.

Preparation of Benzothiazole,4,6-dichloro-2-methyl-: this chemical can be prepared by 2,4,6-Trichlorothioacetanilide. This reaction needs solvent methanol and other condition of irradiationat for 17 hours. The yield is 94 %. The reaction equation is as followed:

Benzothiazole,4,6-dichloro-2-methyl- can be prepared by 2,4,6-Trichlorothioacetanilide.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1sc(nc1c(Cl)c2)C
(2) InChI: InChI=1/C8H5Cl2NS/c1-4-11-8-6(10)2-5(9)3-7(8)12-4/h2-3H,1H3
(3) InChIKey: GRJSYJVETZZQJX-UHFFFAOYAU