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Benzothiazole,4,6-dichloro-2-methyl-

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Name

Benzothiazole,4,6-dichloro-2-methyl-

EINECS N/A
CAS No. 62248-12-8 Density 1.489 g/cm3
PSA 41.13000 LogP 3.91150
Solubility N/A Melting Point N/A
Formula C8H5Cl2NS Boiling Point 311.5 °C at 760mmHg
Molecular Weight 218.106 Flash Point 142.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 62248-12-8 (Benzothiazole, 4,6-dichloro-2-methyl- (9CI)) Hazard Symbols N/A
Synonyms

NSC 142133;

 

Benzothiazole,4,6-dichloro-2-methyl- 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

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