bis(pentafluorophenyl)methanone

• ChemBase ID: 8861
• Molecular Formular: C13F10O
• Molecular Mass: 362.122532
• Monoisotopic Mass: 361.97894682
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)C(=O)c1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: O=C(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17
• InChIKey: WWQLXRAKBJVNCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(pentafluorophenyl)methanone
• IUPAC Traditional name: bis(pentafluorophenyl)methanone
• Synonyms: Decafluorobenzophenone; Decafluorobenzophenone; Perfluorobenzophenone; Perfluorobenzophenone; Decafluorobenzophenone; Decafluorobenzophenone 98%; 全氟二苯甲酮; 十氟联苯酮; 全氟二苯甲酮; 十氟联苯酮

Database IDs

• CAS Number: 853-39-4
• EC Number: 212-717-8
• MDL Number: MFCD00000295
• Beilstein Number: 2066476
• PubChem SID: 24846557; 24886464; 160972168
• PubChem CID: 70068

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.859618
• LogD (pH = 7.4): 4.859618
• Log P: 4.859618
• Molar Refractivity: 58.7975 cm^3
• Polarizability: 20.656492 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-95 °C; 90-95 °C(lit.); 91-92°C; 92-94°C; 92-94°C
• Boiling Point: 206°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (GC); 98%
• Grade: for GC/MS; puriss. p.a.
• Linear Formula: C6F5COC6F5

DETAILS

Sigma Aldrich - 101893

Packaging
5 g in glass bottle