6-phenylpyridine-3-sulfonyl chloride

• ChemBase ID: 78214
• Molecular Formular: C11H8ClNO2S
• Molecular Mass: 253.70472
• Monoisotopic Mass: 252.99642718
• SMILES: n1cc(ccc1c1ccccc1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc(nc1)c1ccccc1
• InChI: InChI=1S/C11H8ClNO2S/c12-16(14,15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H
• InChIKey: XXAIRWVPDAMXOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylpyridine-3-sulfonyl chloride
• IUPAC Traditional name: 6-phenylpyridine-3-sulfonyl chloride
• Synonyms: 6-phenyl-3-pyridinesulfonyl chloride; 3-(Chlorosulphonyl)-6-phenylpyridine; 2-Phenylpyridine-5-sulphonyl chloride; 6-Phenylpyridine-3-sulphonyl chloride 97%

Database IDs

• CAS Number: 884507-12-4
• MDL Number: MFCD09064941
• PubChem SID: 162043018
• PubChem CID: 24229463

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.734951
• LogD (pH = 7.4): 2.734952
• Log P: 2.7349522
• Molar Refractivity: 62.8595 cm^3
• Polarizability: 26.393427 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106.5-107.5°C

Safety Information

• Storage Warning: Corrosive/Store under Argon

Product Information

• Purity: 97%