diiodotriphenyl-λ5-phosphane

• ChemBase ID: 148581
• Molecular Formular: C18H15I2P
• Molecular Mass: 516.094401
• Monoisotopic Mass: 515.90008311
• SMILES: c1ccc(cc1)P(c1ccccc1)(c1ccccc1)(I)I
• Canonical SMILES: IP(c1ccccc1)(c1ccccc1)(c1ccccc1)I
• InChI: InChI=1S/C18H15I2P/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: NSWZEXJQHIXCFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diiodotriphenyl-λ^5-phosphane
• IUPAC Traditional name: diiodotriphenyl-λ^5-phosphane
• Synonyms: Diiodotriphenylphosphorane; Triphenylphosphine diiodide; 二碘三苯基正膦; 三苯基膦二碘化物

Database IDs

• CAS Number: 6396-07-2
• MDL Number: MFCD00216568
• Beilstein Number: 2740417
• PubChem SID: 162242756; 24889792; 24866095
• PubChem CID: 201622

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9738
• LogD (pH = 7.4): 6.9738
• Log P: 6.9738
• Molar Refractivity: 108.3045 cm^3
• Polarizability: 42.779224 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 210-220 °C(lit.)

Safety Information

• RTECS: TB6100000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2923
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-42/43-62
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H317-H334-H361
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2923 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (AT); 90%
• Grade: technical; technical grade
• Linear Formula: (C6H5)3PI2

DETAILS

Sigma Aldrich - 419184

Packaging
5 g in glass bottle

Sigma Aldrich - 93096

Other Notes
Iodination reagent for alcohols1; Unsaturated iodo-ketones from β-diketones2