chlorobis(4-chlorophenyl)phosphane

• ChemBase ID: 296085
• Molecular Formular: C12H8Cl3P
• Molecular Mass: 289.524681
• Monoisotopic Mass: 287.94291993
• SMILES: c1cc(ccc1P(c1ccc(cc1)Cl)Cl)Cl
• Canonical SMILES: ClP(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• InChI: InChI=1S/C12H8Cl3P/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
• InChIKey: UISLTICQIVPVGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(4-chlorophenyl)phosphane
• IUPAC Traditional name: chlorobis(4-chlorophenyl)phosphane
• Synonyms: Bis(4-chlorophenyl)chlorophosphine; Chlorobis(4-chlorophenyl)phosphine; 氯二(4-氯苯基)膦

Database IDs

• CAS Number: 13685-26-2
• EC Number: 000-000-0
• MDL Number: MFCD09909564
• PubChem SID: 180681616
• PubChem CID: 18705966

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1749
• LogD (pH = 7.4): 5.1749
• Log P: 5.1749
• Molar Refractivity: 71.8945 cm^3
• Polarizability: 28.200104 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 52-53°C
• Boiling Point: 184-186°C/2.5mm

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• 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: 98+%