3-Thiophenecarboxylicacid, 4,5-dichloro- supplier

Name
3-Thiophenecarboxylic acid, 4,5-dichloro-
EINECS
CAS No. 123418-70-2
Article Data3
CAS DataBase
Density 1.708 g/cm³
Solubility
Melting Point
Formula C₅H₂Cl₂O₂S
Boiling Point 309.7 °C at 760 mmHg
Molecular Weight 197.042
Flash Point 141.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4, 5-Dichlorothiophene-3-carboxylic acid;
PSA 65.54000
LogP 2.75310

3-Thiophenecarboxylicacid, 4,5-dichloro- Specification

The 3-Thiophenecarboxylicacid, 4, 5-dichloro-, with the CAS registry number of 123418-70-2, is also known as 4, 5-Dichloro-3-thiophenecarboxylic acid. This chemical's molecular formula is C₅H₂Cl₂O₂S and molecular weight is 197.03918. What's more, its systematic name is called 4, 5-Dichlorothiophene-3-carboxylic acid.

Physical properties about 3-Thiophenecarboxylicacid, 4, 5-dichloro- are: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.33; (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: 1.636; (14)Molar Refractivity: 41.35 cm³; (15)Molar Volume: 115.3 cm³; (16)Surface Tension: 62.4 dyne/cm; (17)Density: 1.708 g/cm³; (18)Flash Point: 141.1 °C; (19)Enthalpy of Vaporization: 58.12 kJ/mol; (20)Boiling Point: 309.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000272 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1csc(Cl)c1Cl
(2) InChI: InChI=1/C5H2Cl2O2S/c6-3-2(5(8)9)1-10-4(3)7/h1H,(H,8,9)
(3) InChIKey: BXCIVCFRSLPEFH-UHFFFAOYAC

Product Name

3-Thiophenecarboxylic acid, 4,5-dichloro-

3-Thiophenecarboxylicacid, 4,5-dichloro- Specification

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