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Name |
Ethanone,1-[2-(4-chlorophenyl)-5-thiazolyl]- |
EINECS | N/A |
CAS No. | 57560-99-3 | Density | 1.314g/cm3 |
PSA | 58.20000 | LogP | 3.66610 |
Solubility | N/A | Melting Point |
150-152°C |
Formula | C11H8ClNOS | Boiling Point | 378.1 °C at 760 mmHg |
Molecular Weight | 237.71 | Flash Point | 182.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-[2-(4-Chlorophenyl)thiazol-5-yl]ethanone; |
The Ethanone,1-[2-(4-chlorophenyl)-5-thiazolyl]-, with CAS registry number 57560-99-3, has the systematic name of 1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethanone. Its molecular weight is 237.71. And the chemical formula of this chemical is C11H8ClNOS.
Physical properties of Ethanone,1-[2-(4-chlorophenyl)-5-thiazolyl]-: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 246.65; (6)ACD/BCF (pH 7.4): 246.65; (7)ACD/KOC (pH 5.5): 1794.16; (8)ACD/KOC (pH 7.4): 1794.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 62.24 cm3; (15)Molar Volume: 180.9 cm3; (16)Polarizability: 24.67×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.314 g/cm3; (19)Flash Point: 182.5 °C; (20)Enthalpy of Vaporization: 62.59 kJ/mol; (21)Boiling Point: 378.1 °C at 760 mmHg; (22)Vapour Pressure: 6.45E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by trifluoro-methanesulfonic acid 5-acetyl-2-(4-chloro-phenyl)-thiazol-4-yl ester. This reaction will need reagents tributylamine, DPPF, 99 % formic acid and solvent toluene. The reaction time is 1 hour(s) with reaction temperature of 90 ℃. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1ncc(s1)C(=O)C)cc2
(2)InChI: InChI=1/C11H8ClNOS/c1-7(14)10-6-13-11(15-10)8-2-4-9(12)5-3-8/h2-6H,1H3
(3)InChIKey: CAEMSQJRTZSWLF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H8ClNOS/c1-7(14)10-6-13-11(15-10)8-2-4-9(12)5-3-8/h2-6H,1H3
(5)Std. InChIKey: CAEMSQJRTZSWLF-UHFFFAOYSA-N