1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione

• ChemBase ID: 6585
• Molecular Formular: C7H2F10O2
• Molecular Mass: 308.073612
• Monoisotopic Mass: 307.9895115
• SMILES: C(F)(F)(F)C(=O)CC(=O)C(F)(F)C(C(F)(F)F)(F)F
• Canonical SMILES: O=C(C(F)(F)F)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H2F10O2/c8-4(9,6(13,14)7(15,16)17)2(18)1-3(19)5(10,11)12/h1H2
• InChIKey: SUORUQZBFOQDGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione
• IUPAC Traditional name: 1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione
• Synonyms: 3H,3H-Perfluoro-2,4-heptanedione; 1,1,1,5,5,6,6,7,7,7-Decafluoroheptane-2,4-dione 97%; 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione; 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione; 1,1,1,5,5,6,6,7,7,7-十氟代-2,4-庚二酮

Database IDs

• CAS Number: 20583-66-8
• MDL Number: MFCD00040961
• Beilstein Number: 1889488
• PubChem SID: 160969892
• PubChem CID: 425461

CALCULATED PROPERTIES

• Acid pKa: 6.4115705
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.943893
• LogD (pH = 7.4): 2.9659486
• Log P: 3.9940765
• Molar Refractivity: 37.4464 cm^3
• Polarizability: 13.969597 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-100°C; 98-100°C
• Flash Point: None

Safety Information

• Storage Warning: Corrosive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%