5-Chloro-Benzo[b]Thiophene-3-Aceticacid
[CAS# 17266-30-7]

Identification

• Name: 5-Chloro-Benzo[b]Thiophene-3-Aceticacid
• Synonyms: 2-(5-Chlorobenzothiophen-3-Yl)Acetic Acid; 2-(5-Chloro-3-Benzothiophenyl)Acetic Acid; 2-(5-Chloro-1-Benzothiophen-3-Yl)Ethanoic Acid
• Molecular Formula: C₁₀H₇ClO₂S
• Molecular Weight: 226.68
• CAS Registry Number: 17266-30-7
• SMILES: C1=C(Cl)C=CC2=C1C(=CS2)CC(O)=O
• InChI: 1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)
• InChIKey: QQKKTOPRRGBBCT-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 152-155°C (Expl.)
• Boiling point: 410.6±30.0°C at 760 mmHg (Cal.)
• Flash point: 202.1±24.6°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Jahnke et al.. Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery, Nature Chemical Biology, 2010