1-(Ethynylsulfonyl)-4-Methylbenzene
[CAS# 13894-21-8]

Identification

• Classification: Chemical reagent >> Organic reagent >> Sulfone, sulfoxide compound
• Name: 1-(Ethynylsulfonyl)-4-Methylbenzene
• Synonyms: (p-toluenesulfonyl)ethyne; Ethynyl p-Tolyl Sulfone; ETHYNYLP-TOLYLSULFONE
• Molecular Formula: C₉H₈O₂S
• Molecular Weight: 180.22
• CAS Registry Number: 13894-21-8
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)C#C
• InChI: 1S/C9H8O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h1,4-7H,2H3
• InChIKey: FTHKWIMQNXVEHW-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 297.9±33.0°C at 760 mmHg (Cal.)
• Flash point: 155.6±18.1°C (Cal.)
• Refractive index: 1.553 (Cal.)

References

• (1): Mitchell H. Weston, Katsumasa NakajimaPresent address: Novartis Pharmaceuticals Inc., 100 Technology Square, Cambridge MA 02139, USA. Fax: 617-871-7043; Tel: 617-871-7459; E-mail: katsumasa.nakajima@n ovartis.com, Masood Parvez and Thomas G. Back. Ring-expansion of tertiary cyclic α-vinylamines by tandem conjugate addition to (p-toluenesulfonyl)ethyne and formal 3-aza-Cope rearrangement, Chem. Commun., 2006, 0, 3903.