Product Name

  • Name

    ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate

  • EINECS
  • CAS No. 132089-38-4
  • Density 1.4 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H9Cl2NO2S
  • Boiling Point 432.6 °C at 760 mmHg
  • Molecular Weight 302.18
  • Flash Point 215.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 132089-38-4 (ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate)
  • Hazard Symbols
  • Synonyms Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate;
  • PSA 67.43000
  • LogP 3.60360

4-Thiazolecarboxylicacid, 2-(3,5-dichlorophenyl)-, ethyl ester Specification

The 4-Thiazolecarboxylicacid, 2-(3,5-dichlorophenyl)-, ethyl ester, with CAS registry number 132089-38-4, has the systematic name of Ethyl 2-(3,5-dichlorophenyl)-1,3-thiazole-4-carboxylate. Besides this, it is also called ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate. And the chemical formula of this chemical is C12H9Cl2NO2S.

Physical properties of 4-Thiazolecarboxylicacid, 2-(3,5-dichlorophenyl)-, ethyl ester: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6890.3; (6)ACD/BCF (pH 7.4): 6890.3; (7)ACD/KOC (pH 5.5): 19453.69; (8)ACD/KOC (pH 7.4): 19453.69; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 73.51 cm3; (15)Molar Volume: 215.7 cm3; (16)Polarizability: 29.14×10-24cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 215.4 °C; (20)Enthalpy of Vaporization: 68.84 kJ/mol; (21)Boiling Point: 432.6 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1csc(n1)c2cc(cc(c2)Cl)Cl
(2)InChI: InChI=1/C12H9Cl2NO2S/c1-2-17-12(16)10-6-18-11(15-10)7-3-8(13)5-9(14)4-7/h3-6H,2H2,1H3
(3)InChIKey: HVMLDBROWJVLEG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)10-6-18-11(15-10)7-3-8(13)5-9(14)4-7/h3-6H,2H2,1H3
(5)Std. InChIKey: HVMLDBROWJVLEG-UHFFFAOYSA-N

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