(2-phosphanylphenyl)phosphane

• ChemBase ID: 137690
• Molecular Formular: C6H8P2
• Molecular Mass: 142.075242
• Monoisotopic Mass: 142.01012352
• SMILES: c1ccc(c(c1)P)P
• Canonical SMILES: Pc1ccccc1P
• InChI: InChI=1S/C6H8P2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
• InChIKey: DKFDVEXWZZOMGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phosphanylphenyl)phosphane
• IUPAC Traditional name: (2-phosphanylphenyl)phosphane
• Synonyms: 1,2-Phenylenebisphosphine; 1,2-双(膦酰)苯

Database IDs

• CAS Number: 80510-04-9
• MDL Number: MFCD00142463
• PubChem SID: 24868239; 162231952
• PubChem CID: 4346365

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.4538
• LogD (pH = 7.4): 0.4538
• Log P: 0.4538
• Molar Refractivity: 38.4906 cm^3
• Polarizability: 15.77449 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53-55 °C/0.25 mmHg(lit.)
• Density: 1.101 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17
• Safety Statements: 16-27-36/37/39
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H250
• GHS Precautionary statements: P222-P231-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

Product Information

• Purity: 98%
• Linear Formula: C6H4(PH2)2

DETAILS

Sigma Aldrich - 450332

Packaging
1 g in glass bottle