9-oxo-9H-fluorene-2,7-disulfonyl dichloride

• ChemBase ID: 10360
• Molecular Formular: C13H6Cl2O5S2
• Molecular Mass: 377.21974
• Monoisotopic Mass: 375.90337065
• SMILES: c12c(cc(cc1)S(=O)(=O)Cl)C(=O)c1c2ccc(c1)S(=O)(=O)Cl
• Canonical SMILES: O=C1c2cc(ccc2c2c1cc(cc2)S(=O)(=O)Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C13H6Cl2O5S2/c14-21(17,18)7-1-3-9-10-4-2-8(22(15,19)20)6-12(10)13(16)11(9)5-7/h1-6H
• InChIKey: ZQLFXNQIQZAHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-oxo-9H-fluorene-2,7-disulfonyl dichloride
• IUPAC Traditional name: 9-oxofluorene-2,7-disulfonyl dichloride
• Synonyms: 9-oxo-9H-fluorene-2,7-disulfonyl dichloride; 9-Oxo-9H-fluoren-2,7-disulphonyl chloride; Fluoren-9-one-2,7-disulfonyl chloride

Database IDs

• CAS Number: 13354-21-7
• MDL Number: MFCD00218830
• PubChem SID: 160973667
• PubChem CID: 2794572

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9991844
• LogD (pH = 7.4): 2.9991844
• Log P: 2.9991844
• Molar Refractivity: 84.1001 cm^3
• Polarizability: 34.765118 Å^3
• Polar Surface Area: 85.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209-212°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%