diphenylphosphane

• ChemBase ID: 112482
• Molecular Formular: C12H11P
• Molecular Mass: 186.189501
• Monoisotopic Mass: 186.05983698
• SMILES: P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)Pc1ccccc1
• InChI: InChI=1S/C12H11P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
• InChIKey: GPAYUJZHTULNBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylphosphane
• IUPAC Traditional name: diphenylphosphine
• Synonyms: DIPHENYLPHOSPHINE; HPPh2; Ph2PH; Diphenylphosphine; 二苯基膦

Database IDs

• CAS Number: 829-85-6
• EC Number: 212-591-4
• MDL Number: MFCD00003040
• Beilstein Number: 742504
• PubChem SID: 24867025; 162097424; 24855251
• PubChem CID: 70017
• Chemspider ID: 63209
• Wikipedia Title: Diphenylphosphine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1784
• LogD (pH = 7.4): 3.1784
• Log P: 3.1784
• Molar Refractivity: 56.9486 cm^3
• Polarizability: 22.710213 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: colorless liquid; Liquid
• Boiling Point: 280 °C (553 K); 280 °C(lit.); 280°C
• Flash Point: 110 °C; 230 °F
• Density: 1.07; 1.07 g/cm^3, liquid; 1.07 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.625(lit.); n20/D 1.629
• Vapor Pressure: 2 mmHg ( 110 °C)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2845; UN2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1; I
• Risk Statements: 17; 17-36/37/38
• Safety Statements: 26-36; 26-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H252; H250-H315-H319-H335
• GHS Precautionary statements: P210-P222-P280-P370+P378A-P422A-P420; P222-P231-P261-P305 + P351 + P338-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: ≥95.0% (GC); 95+%; 98%
• Grade: purum
• Linear Formula: (C6H5)2PH

DETAILS

MP Biomedicals - 05224320

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 252964

Application
Deprotonation of Ph2PH gives diphenylphosphide, used for synthesis of novel phosphine ligands, Wittig-Horner reagents, and phosphonium salts; source of phosphorus-centered radicals.
Packaging
10 g in glass bottle
50 g in Sure/Seal™

Sigma Aldrich - 43154

Other Notes
Secondary phosphine used for the preparation of tertiary diphenylated phosphines by alkylation. Preparation of the lithium salt 1; In-situ prep. of potassium salt with t-BuOK 2; Prep. of phosphine oxides3