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2-Chlorothiophene-3-carboxylic acid

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Name

2-Chlorothiophene-3-carboxylic acid

EINECS 200-589-5
CAS No. 53935-71-0 Density 1.572 g/cm3
PSA 65.54000 LogP 2.09970
Solubility N/A Melting Point 163 °C
Formula C5H3ClO2S Boiling Point 280.9 °C at 760 mmHg
Molecular Weight 162.597 Flash Point 123.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 53935-71-0 (2-Chlorothiophene-3-carboxylic acid) Hazard Symbols N/A
Synonyms

2-Chloro-3-thiophenecarboxylicacid;

Article Data 7

2-Chlorothiophene-3-carboxylic acid Specification

The 3-Thiophenecarboxylicacid, 2-chloro-, with the CAS registry number 53935-71-0, is also known as 2-Chloro-3-thiophenecarboxylicacid. This chemical's molecular formula is C5H3ClO2S and molecular weight is 162.5941. What's more, its systematic name is 2-Chlorothiophene-3-carboxylic acid.

Physical properties about 3-Thiophenecarboxylicacid, 2-chloro- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.85; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.54 Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 36.46 cm3; (13)Molar Volume: 103.3 cm3; (14)Polarizability: 14.45×10-24 cm3; (15)Surface Tension: 60.5 dyne/cm; (16)Density: 1.572 g/cm3; (17)Flash Point: 123.7 °C; (18)Enthalpy of Vaporization: 54.89 kJ/mol; (19)Boiling Point: 280.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00175 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccsc1Cl
(2) InChI: InChI=1/C5H3ClO2S/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
(3) InChIKey: DZVPSOCOJRCNIA-UHFFFAOYAA

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