2-Thiophenecarboxylicacid, 3-hydroxy- supplier

Name
3-Hydroxythiophene-2-carboxylic acid
EINECS
CAS No. 5118-07-0
Article Data3
CAS DataBase
Density 1.604 g/cm³
Solubility
Melting Point 108 °C(Solv: acetone (67-64-1))
Formula C₅H₄O₃S
Boiling Point 326.374 °C at 760 mmHg
Molecular Weight 144.151
Flash Point 151.186 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Hydroxythiophene-2-carboxylicacid;3-hydroxythiophene-2-carboxylic acid;3-hydroxythiophene-2-carboxylic acid;
PSA 85.77000
LogP 1.15190

2-Thiophenecarboxylicacid, 3-hydroxy- Specification

The 2-Thiophenecarboxylicacid, 3-hydroxy-, with the CAS registry number 5118-07-0, has the systematic name of 3-hydroxythiophene-2-carboxylic acid. It belongs to the following product categories: Carboxylic Acids; Thiophenes & Benzothiophenes; Carboxylic Acids; Thiophenes & Benzothiophenes. And the molecular formula of the chemical is C₅H₄O₃S.

The characteristics of 2-Thiophenecarboxylicacid, 3-hydroxy- are as followings: (1)ACD/LogP: 2.19; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 85.77 Å²; (11)Index of Refraction: 1.667; (12)Molar Refractivity: 33.449 cm³; (13)Molar Volume: 89.872 cm³; (14)Polarizability: 13.26×10^-24cm³; (15)Surface Tension: 78.573 dyne/cm; (16)Density: 1.604 g/cm³; (17)Flash Point: 151.186 °C; (18)Enthalpy of Vaporization: 60.02 kJ/mol; (19)Boiling Point: 326.374 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1csc(c1O)C(=O)O
(2)InChI: InChI=1/C5H4O3S/c6-3-1-2-9-4(3)5(7)8/h1-2,6H,(H,7,8)
(3)InChIKey: RVDUJCGAAPQDBO-UHFFFAOYAW

Product Name

3-Hydroxythiophene-2-carboxylic acid

2-Thiophenecarboxylicacid, 3-hydroxy- Specification

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