octafluorohexanedioyl dichloride

• ChemBase ID: 8854
• Molecular Formular: C6Cl2F8O2
• Molecular Mass: 326.9562256
• Monoisotopic Mass: 325.91476036
• SMILES: ClC(=O)C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ClC(=O)C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6Cl2F8O2/c7-1(17)3(9,10)5(13,14)6(15,16)4(11,12)2(8)18
• InChIKey: NGSYNEZFBAPQFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octafluorohexanedioyl dichloride
• IUPAC Traditional name: octafluorohexanedioyl dichloride
• Synonyms: Octafluoroadipoyl chloride; Perfluoroadipoyl chloride; Octafluoroadipoyl chloride 97%

Database IDs

• CAS Number: 336-06-1
• MDL Number: MFCD00054726
• PubChem SID: 160972161
• PubChem CID: 2775843

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6054785
• LogD (pH = 7.4): 3.6054785
• Log P: 3.6054785
• Molar Refractivity: 40.8276 cm^3
• Polarizability: 16.04007 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 42-45°C/2mm

Safety Information

• Storage Warning: CORROSIVE; Corrosive
• TSCA Listed: false

Product Information

• Purity: 97%