4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid supplier

Name
4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
EINECS
CAS No. 40133-07-1
Article Data6
CAS DataBase
Density 1.317 g/cm³
Solubility Sparingly soluble in water.(0.26 g/L) (25°C),
Melting Point 196℃
Formula C₉H₁₀O₂S
Boiling Point 368.1 °C at 760 mmHg
Molecular Weight 182.243
Flash Point 176.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylicacid;
PSA 65.54000
LogP 2.32510

4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid Specification

The IUPAC name and product name of this chemical are the same which is called 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid. This chemical also known as Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro- is an organic compound with the formula C₉H₁₀O₂S. Its CAS registry number is 40133-07-1.

Physical properties of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 4.34; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.73; (7)ACD/KOC (pH 7.4): 1.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.616; (12)Molar Refractivity: 48.35 cm³; (13)Molar Volume: 138.2 cm³; (14)Surface Tension: 56.3 dyne/cm; (15)Density: 1.317 g/cm³; (16)Flash Point: 176.4 °C; (17)Enthalpy of Vaporization: 64.86 kJ/mol; (18)Boiling Point: 368.1 °C at 760 mmHg; (19)Vapour Pressure: 4.55E-06 mmHg at 25°C.

Preparation of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid: this chemical can be prepared by 4,5,6,7-tetrahydro-benzo[b]thiophene and carbon dioxide. This reaction is a kind of Carboxylation. It will need reagent n-BuLi and solvents hexane, diethyl ether. The reaction time is 4 hours with reaction temperature of -50 °C. The yield is about 89%.

4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid can be prepared by 4,5,6,7-tetrahydro-benzo[b]thiophene and carbon dioxide

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2=C(C1)C=C(S2)C(=O)O
(2)InChI: InChI=1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)
(3)InChIKey: ROLXOQXKNDKXTA-UHFFFAOYSA-N

Product Name

4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid Specification

Related Products

Hot Products