Product Name

  • Name

    ETHYL 2-CHLORO-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLATE

  • EINECS
  • CAS No. 72850-52-3
  • Article Data9
  • CAS DataBase
  • Density 1.509 g/cm3
  • Solubility
  • Melting Point 57-59 °C
  • Formula C7H5ClF3NO2S
  • Boiling Point 308.7 °C at 760 mmHg
  • Molecular Weight 259.636
  • Flash Point 140.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 72850-52-3 (ETHYL 2-CHLORO-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLATE)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Chloro-4-trifluoromethyl-thiazole-5-carboxylicacid ethyl ester;ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate;ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate;
  • PSA 67.43000
  • LogP 2.99200

5-Thiazolecarboxylicacid, 2-chloro-4-(trifluoromethyl)-, ethyl ester Specification

The 5-Thiazolecarboxylicacid, 2-chloro-4-(trifluoromethyl)-, ethyl ester, with the CAS registry number 72850-52-3, is also known as Ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate. This chemical's molecular formula is C7H5ClF3NO2S and molecular weight is 259.63. What's more, its systematic name is ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate. 

Physical properties of 5-Thiazolecarboxylicacid, 2-chloro-4-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.39; (6)ACD/BCF (pH 7.4): 44.39; (7)ACD/KOC (pH 5.5): 525.73; (8)ACD/KOC (pH 7.4): 525.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 49 cm3; (15)Molar Volume: 171.9 cm3; (16)Polarizability: 19.42×10-24 cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.509 g/cm3; (19)Flash Point: 140.5 °C; (20)Enthalpy of Vaporization: 54.94 kJ/mol; (21)Boiling Point: 308.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000671 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(F)c1nc(Cl)sc1C(=O)OCC
(2)InChI: InChI=1/C7H5ClF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
(3)InChIKey: RLZUPBSTNNZDDH-UHFFFAOYAB

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