4-Thiazolecarboxylicacid, 2-chloro-, ethyl ester supplier

Name
ETHYL 2-CHLORO-1,3-THIAZOLE-4-CARBOXYLATE
EINECS
CAS No. 41731-52-6
Article Data12
CAS DataBase
Density 1.384 g/cm³
Solubility
Melting Point
Formula C₆H₆ClNO₂S
Boiling Point 283.907 °C at 760 mmHg
Molecular Weight 191.638
Flash Point 125.503 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chlorothiazole-4-carboxylicacid ethyl ester;Ethyl 2-chloro-1,3-thiazole-4-carboxylate;Ethyl2-chloro-4-thiazolecarboxylate;
PSA 67.43000
LogP 1.97320

4-Thiazolecarboxylicacid, 2-chloro-, ethyl ester Specification

The 4-Thiazolecarboxylicacid, 2-chloro-, ethyl ester is an organic compound with the formula C₆H₆ClNO₂S. The systematic name of this chemical is ethyl 2-chloro-1,3-thiazole-4-carboxylate. With the CAS registry number 41731-52-6, it is also named as Ethyl 2-chlorothiazole-4-carboxylate. The product's categories are Building Blocks; Thiazole.

Physical properties about 4-Thiazolecarboxylicacid, 2-chloro-, ethyl ester are: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 156; (7)ACD/KOC (pH 7.4): 156; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43 Å²; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 44.03 cm³; (13)Molar Volume: 138.487 cm³; (14)Polarizability: 17.455×10^-24cm³; (15)Surface Tension: 48.299 dyne/cm; (16)Density: 1.384 g/cm³; (17)Flash Point: 125.503 °C; (18)Enthalpy of Vaporization: 52.286 kJ/mol; (19)Boiling Point: 283.907 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1csc(Cl)n1
(2)InChI: InChI=1/C6H6ClNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
(3)InChIKey: GILVNZWYCBUGMT-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H6ClNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
(5)Std. InChIKey: GILVNZWYCBUGMT-UHFFFAOYSA-N

Product Name

ETHYL 2-CHLORO-1,3-THIAZOLE-4-CARBOXYLATE

4-Thiazolecarboxylicacid, 2-chloro-, ethyl ester Specification

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