Difluoromethyl Phenyl Sulfide

• Catalog: OFC1535677-1
• CAS: 1535-67-7
• Category: Difluoromethylation Agents
• Synonyms: (Difluoromethylthio)benzene; α,α-Difluorothioanisole
• Purity: >98.0%(GC)
• MDL Number: MFCD16301013

• IUPAC Name: difluoromethylsulfanylbenzene
• InChI: InChI=1S/C7H6F2S/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H
• InChI Key: KDNBCPHMQJEQLV-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)SC(F)F
• EC Number: 216-255-8
• Reaxys Registry Number: 1938653

• Molecular Formula: C7H6F2S
• Molecular Weight: 160.18
• Boiling Point: 63 °C (7 mmHg)
• Flash Point: 45 °C
• Refractive Index: 1.51
• Appearance: Colorless to almost colorless clear liquid
• Storage: Store under inert gas
• Stability: Air Sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 160.01582769 g/mol
• Monoisotopic Mass: 160.01582769 g/mol
• Topological Polar Surface Area: 25.3Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 89.6

• HS Number: 2930.90.2900