4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid , 98% , 40133-07-1

CAS NO.：40133-07-1

Empirical Formula: C9H10O2S

Molecular Weight: 182.24

MDL number: MFCD00464469

PRODUCT Properties

• Melting point: 196℃
• Boiling point: 368.1±42.0 °C(Predicted)
• Density: 1.317±0.06 g/cm3(Predicted)
• storage temp.: 2-8°C(protect from light)
• pka: 3.91±0.20(Predicted)
• form: Crystalline Powder
• color: White
• Water Solubility: Sparingly soluble in water.(0.26 g/L) (25°C),
• InChI: InChI=1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)
• InChIKey: ROLXOQXKNDKXTA-UHFFFAOYSA-N
• SMILES: C12CCCCC=1C=C(C(O)=O)S2

Description and Uses

It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• HazardClass: IRRITANT
• HS Code: 2934999090