5-Chlorothiophene-3-carboxylic acid supplier

Name
5-CHLOROTHIOPHENE-3-CARBOXYLIC ACID
EINECS
CAS No. 36157-42-3
Article Data9
CAS DataBase
Density 1.573 g/cm³
Solubility
Melting Point 156-157 °C(Solv: water (7732-18-5))
Formula C₅H₃ClO₂S
Boiling Point 287 °C at 760 mmHg
Molecular Weight 162.597
Flash Point 127.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms AKOS 92001;
PSA 65.54000
LogP 2.09970

5-Chlorothiophene-3-carboxylic acid Specification

The 5-Chlorothiophene-3-carboxylic acid with the CAS number 36157-42-3 is also called 3-Thiophenecarboxylicacid, 5-chloro-. Its molecular formula is C₅H₃ClO₂S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 36.46 cm³; (15)Molar Volume: 103.3 cm³; (16)Polarizability: 14.45×10^-24cm³; (17)Surface Tension: 60.5 dyne/cm; (18)Enthalpy of Vaporization: 55.57 kJ/mol; (19)Vapour Pressure: 0.00119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1csc(Cl)c1
(2)InChI: InChI=1/C5H3ClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
(3)InChIKey: POVPYUUZOZBLOH-UHFFFAOYAT

Product Name

5-CHLOROTHIOPHENE-3-CARBOXYLIC ACID

5-Chlorothiophene-3-carboxylic acid Specification

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