tris(3-chlorophenyl)phosphane

• ChemBase ID: 107500
• Molecular Formular: C18H12Cl3P
• Molecular Mass: 365.620641
• Monoisotopic Mass: 363.97422005
• SMILES: Clc1cc(ccc1)P(c1cccc(Cl)c1)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)P(c1cccc(c1)Cl)c1cccc(c1)Cl
• InChI: InChI=1S/C18H12Cl3P/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H
• InChIKey: QAPGHLJQIVDTPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3-chlorophenyl)phosphane
• IUPAC Traditional name: tris(3-chlorophenyl)phosphane
• Synonyms: TRI(3-CHLOROPHNYL)PHOSPHINE; Tris(3-chlorophenyl)phosphine; 三(3-氯苯基)膦

Database IDs

• CAS Number: 29949-85-7
• EC Number: 249-970-9
• MDL Number: MFCD00013632
• PubChem SID: 162093515
• PubChem CID: 121600

CALCULATED PROPERTIES

• LogD (pH = 5.5): 6.6606
• LogD (pH = 7.4): 6.6606
• Log P: 6.6606
• Molar Refractivity: 96.0373 cm^3
• Polarizability: 37.811535 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0

PROPERTIES

Physical Property

• Melting Point: 64-66°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05203987

MP Biomedicals Rare Chemical collection