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5-Thiazolecarbonylchloride, 2-(4-chlorophenyl)-4-methyl-

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Name

5-Thiazolecarbonylchloride, 2-(4-chlorophenyl)-4-methyl-

EINECS N/A
CAS No. 54001-22-8 Density 1.417 g/cm3
PSA 58.20000 LogP 4.15090
Solubility N/A Melting Point 180 °C
Formula C11H7Cl2NOS Boiling Point 395.6 °C at 760 mmHg
Molecular Weight 272.15 Flash Point 193.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54001-22-8 (2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl chloride;

 

5-Thiazolecarbonylchloride, 2-(4-chlorophenyl)-4-methyl- Specification

The 5-Thiazolecarbonylchloride, 2-(4-chlorophenyl)-4-methyl- has the CAS registry number 54001-22-8. This chemical's molecular formula is C11H7Cl2NOS and molecular weight is 272.15. What's more, its systematic name is 2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl chloride. The product is corrosive and kept under nitrogen.

Physical properties of 5-Thiazolecarbonylchloride, 2-(4-chlorophenyl)-4-methyl- are: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 58.2 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 67.28 cm3; (9)Molar Volume: 192 cm3; (10)Polarizability: 26.67×10-24 cm3; (11)Surface Tension: 51.8 dyne/cm; (12)Density: 1.417 g/cm3; (13)Flash Point: 193.1 °C; (14)Enthalpy of Vaporization: 64.58 kJ/mol; (15)Boiling Point: 395.6 °C at 760 mmHg; (16)Vapour Pressure: 1.81E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1sc(nc1C)c2ccc(Cl)cc2
(2)InChI: InChI=1S/C11H7Cl2NOS/c1-6-9(10(13)15)16-11(14-6)7-2-4-8(12)5-3-7/h2-5H,1H3
(3)InChIKey: BCMARAXFBBVCJE-UHFFFAOYSA-N

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