chlorobis(pentafluoroethyl)phosphane

• ChemBase ID: 94895
• Molecular Formular: C4ClF10P
• Molecular Mass: 304.453593
• Monoisotopic Mass: 303.92664651
• SMILES: P(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)Cl
• Canonical SMILES: ClP(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C4ClF10P/c5-16(3(12,13)1(6,7)8)4(14,15)2(9,10)11
• InChIKey: CRMISLQQSOAARX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(pentafluoroethyl)phosphane
• IUPAC Traditional name: chlorobis(pentafluoroethyl)phosphane
• Synonyms: Chlorobis(pentafluoroethyl)phosphine 97%

Database IDs

• CAS Number: 35449-89-9
• MDL Number: MFCD04116430
• PubChem SID: 162081549
• PubChem CID: 2757428

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3817
• LogD (pH = 7.4): 4.3817
• Log P: 4.3817
• Molar Refractivity: 34.8657 cm^3
• Polarizability: 13.043634 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92°C

Safety Information

• Storage Warning: Corrosive/Flammable