2-Methyl-Benzo[b]Thiophene
[CAS# 1195-14-8]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Thiophene compound
• Name: 2-Methyl-Benzo[b]Thiophene
• Synonyms: 2-Methylbenzothiophene; 2-Methylbenzo[B]Thiophene; 2-Methylthianaphthene
• Molecular Formula: C₉H₈S
• Molecular Weight: 148.22
• CAS Registry Number: 1195-14-8
• EINECS: 214-792-2
• SMILES: C1=CC=CC2=C1SC(=C2)C
• InChI: 1S/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
• InChIKey: BLZKSRBAQDZAIX-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 55°C (Expl.)
• Boiling point: 243.0±9.0°C at 760 mmHg (Cal.)
• Flash point: 72.4±4.9°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Derek R. Boyd, Narain D. Sharma, Ian N. Brannigan, Timothy A. Evans, Simon A. Haughey, Brian T. McMurray, John F. Malone, Peter B. A. McIntyre, Paul J. Stevenson and Christopher C. R. Allen. Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide, Org. Biomol. Chem., 2012, 10, 7292.