chlorobis[4-(trifluoromethyl)phenyl]phosphane

• ChemBase ID: 296086
• Molecular Formular: C14H8ClF6P
• Molecular Mass: 356.6305002
• Monoisotopic Mass: 355.99563389
• SMILES: c1cc(ccc1C(F)(F)F)P(c1ccc(cc1)C(F)(F)F)Cl
• Canonical SMILES: ClP(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C14H8ClF6P/c15-22(11-5-1-9(2-6-11)13(16,17)18)12-7-3-10(4-8-12)14(19,20)21/h1-8H
• InChIKey: PBLUOOURLNAOAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis[4-(trifluoromethyl)phenyl]phosphane
• IUPAC Traditional name: chlorobis[4-(trifluoromethyl)phenyl]phosphane
• Synonyms: Bis[4-(trifluoromethyl)phenyl]chlorophosphine; Chlorobis[4-(trifluoromethyl)phenyl]phosphine; 氯二[4-(三氟甲基)苯基]膦

Database IDs

• CAS Number: 13685-24-0
• EC Number: 000-000-0
• MDL Number: MFCD04972304
• PubChem SID: 180681617
• PubChem CID: 4379933

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9045
• LogD (pH = 7.4): 5.9045
• Log P: 5.9045
• Molar Refractivity: 74.2323 cm^3
• Polarizability: 26.970255 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 110°C/0.4mm

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• 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%