tetrafluorobutanedioyl dichloride

• ChemBase ID: 12141
• Molecular Formular: C4Cl2F4O2
• Molecular Mass: 226.9412128
• Monoisotopic Mass: 225.92114748
• SMILES: O=C(Cl)C(C(C(=O)Cl)(F)F)(F)F
• Canonical SMILES: ClC(=O)C(C(C(=O)Cl)(F)F)(F)F
• InChI: InChI=1S/C4Cl2F4O2/c5-1(11)3(7,8)4(9,10)2(6)12
• InChIKey: XCSFZFHJQXODPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluorobutanedioyl dichloride
• IUPAC Traditional name: tetrafluorobutanedioyl dichloride
• Synonyms: Tetrafluorosuccinyl chloride; Tetrafluorosuccinyl chloride 97%

Database IDs

• CAS Number: 356-15-0
• MDL Number: MFCD00013653
• PubChem SID: 160975448
• PubChem CID: 78983

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.204193
• LogD (pH = 7.4): 2.204193
• Log P: 2.204193
• Molar Refractivity: 31.4916 cm^3
• Polarizability: 12.292641 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85-87°C

Safety Information

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

Product Information

• Purity: 95%