furan-2-sulfonyl chloride

• ChemBase ID: 77269
• Molecular Formular: C4H3ClO3S
• Molecular Mass: 166.58282
• Monoisotopic Mass: 165.94914264
• SMILES: o1cccc1S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccco1
• InChI: InChI=1S/C4H3ClO3S/c5-9(6,7)4-2-1-3-8-4/h1-3H
• InChIKey: IEKOSPNJXYCZHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-sulfonyl chloride
• IUPAC Traditional name: furan-2-sulfonyl chloride
• Synonyms: Furan-2-sulphonyl chloride 97+%; furan-2-sulfonyl chloride

Database IDs

• CAS Number: 52665-48-2
• MDL Number: MFCD06658968
• PubChem SID: 162042142
• PubChem CID: 2795072

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1490854
• LogD (pH = 7.4): 1.1490854
• Log P: 1.1490854
• Molar Refractivity: 32.0189 cm^3
• Polarizability: 13.462645 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79-81°C/10mm

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%