dichlorotriphenyl-λ5-phosphane

• ChemBase ID: 145478
• Molecular Formular: C18H15Cl2P
• Molecular Mass: 333.191461
• Monoisotopic Mass: 332.02884247
• SMILES: c1ccc(cc1)P(c1ccccc1)(c1ccccc1)(Cl)Cl
• Canonical SMILES: ClP(c1ccccc1)(c1ccccc1)(c1ccccc1)Cl
• InChI: InChI=1S/C18H15Cl2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: ASWXNYNXAOQCCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlorotriphenyl-λ^5-phosphane
• IUPAC Traditional name: triphenylphosphine dichloride
• Synonyms: Triphenylphosphine dichloride; Dichlorotriphenylphosphorane; 二氯三苯基膦; 三苯基二氯化膦

Database IDs

• CAS Number: 2526-64-9
• MDL Number: MFCD00010359
• PubChem SID: 24863576; 162239683
• PubChem CID: 260420

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3756
• LogD (pH = 7.4): 6.3756
• Log P: 6.3756
• Molar Refractivity: 93.8955 cm^3
• Polarizability: 36.59546 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 85 °C (dec.)(lit.)
• Flash Point: 20 °C; 68 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 45-11-34
• Safety Statements: 53-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314-H350
• GHS Precautionary statements: P201-P210-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2925 4.1/PG 2

Product Information

• Purity: 95%
• Linear Formula: (C6H5)3PCl2

DETAILS

Sigma Aldrich - 378755

Packaging
25, 100 g in glass bottle