hexafluoropentanedioyl dichloride

• ChemBase ID: 8886
• Molecular Formular: C5Cl2F6O2
• Molecular Mass: 276.9487192
• Monoisotopic Mass: 275.91795392
• SMILES: O=C(Cl)C(C(C(C(=O)Cl)(F)F)(F)F)(F)F
• Canonical SMILES: ClC(=O)C(C(C(C(=O)Cl)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
• InChIKey: QOLALWJWCONGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoropentanedioyl dichloride
• IUPAC Traditional name: hexafluoropentanedioyl dichloride
• Synonyms: Hexafluoroglutaryl chloride; Perfluoroglutaryl chloride; Hexafluoroglutaryl chloride; Hexafluoropentane-1,5-dioyl chloride; Perfluoroglutaryl chloride 98%; 六氟戊二酰氯

Database IDs

• CAS Number: 678-77-3
• EC Number: 211-651-7
• MDL Number: MFCD00039309
• Beilstein Number: 1914561
• PubChem SID: 160972193
• PubChem CID: 69621

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.904836
• LogD (pH = 7.4): 2.904836
• Log P: 2.904836
• Molar Refractivity: 36.1596 cm^3
• Polarizability: 14.158374 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-112°C; 111°C
• Flash Point: None; none°C
• Density: 1.64; 1.640
• Refractive Index: 1.354; 1.3540

Safety Information

• Storage Warning: CORROSIVE; Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%; 98%