261696

Methyl phenyl sulfoxide

≥97%

• Linear Formula: CH₃SOC₆H₅
• CAS Number: 1193-82-4
• Molecular Weight: 140.20
• Beilstein/REAXYS Number: 1904976
• EC Number: 214-781-2
• MDL number: MFCD00002088
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855831
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: ≥97%
• form: crystals
• refractive index: n20/D 1.5775 (lit.)
• bp: 139-140 °C/14 mmHg (lit.)
• mp: 26-29 °C (lit.)
• functional group: sulfoxide
• storage temp.: 2-8°C
• SMILES string: CS(=O)c1ccccc1
• InChI: 1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
• InChI key: JXTGICXCHWMCPM-UHFFFAOYSA-N

Description

General description

(R)-methyl phenyl sulfoxide is an important pharmaceutical intermediate.

Application

Methyl phenyl sulfoxide has been used in the synthesis of:

• isotopically labelled 1, 3-dithiane, a useful labeled synthon
• nelfinavir, potent HIV-protease inhibitor
• sulfoximines and in studies on solvent-water partitioning

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H315,H318,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 186.8 °F - closed cup
• flash_point_c: 86 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves