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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 | Hazard Symbols | C | |
Synonyms |
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl chloride; |
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