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5-Thiazolecarboxylicacid, 4-chloro-

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Name

5-Thiazolecarboxylicacid, 4-chloro-

EINECS N/A
CAS No. 444909-59-5 Density 1.693 g/cm3
PSA 78.43000 LogP 1.49470
Solubility N/A Melting Point N/A
Formula C4H2ClNO2S Boiling Point 336.335 °C at 760 mmHg
Molecular Weight 163.584 Flash Point 157.21 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 444909-59-5 (5-Thiazolecarboxylic acid, 4-chloro-) Hazard Symbols N/A
Synonyms

4-Chlorothiazole-5-carboxylicacid;

 

5-Thiazolecarboxylicacid, 4-chloro- Specification

The 5-Thiazolecarboxylicacid, 4-chloro-, with the CAS registry number 444909-59-5, is also known as 4-Chloro-5-thiazolecarboxylic acid. This chemical's molecular formula is C4H2ClNO2S and molecular weight is 162.949477. Its IUPAC name is called 4-chloro-1,3-thiazole-5-carboxylic acid.

Physical properties of 5-Thiazolecarboxylicacid, 4-chloro-: (1)ACD/LogP: 0.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.634; (10)Molar Refractivity: 34.554 cm3; (11)Molar Volume: 96.617 cm3; (12)Surface Tension: 73.171 dyne/cm; (13)Density: 1.693 g/cm3; (14)Flash Point: 157.21 °C; (15)Enthalpy of Vaporization: 61.163 kJ/mol; (16)Boiling Point: 336.335 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1nc(c(s1)C(=O)O)Cl
(2)InChI: InChI=1/C4H2ClNO2S/c5-3-2(4(7)8)9-1-6-3/h1H,(H,7,8)
(3)InChIKey: PIORVFYHSPLLLG-UHFFFAOYAW

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