triphenyl phosphite

• ChemBase ID: 111508
• Molecular Formular: C18H15O3P
• Molecular Mass: 310.283661
• Monoisotopic Mass: 310.07588097
• SMILES: O(P(Oc1ccccc1)Oc1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H
• InChIKey: HVLLSGMXQDNUAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl phosphite
• IUPAC Traditional name: triphenyl phosphite
• Synonyms: TRIPHENYL PHOSPHITE; (PhO)3P; P(OPh)3; Triphenoxyphosphine; Triphenyl phosphite; Phosphorous acid triphenyl ester; 亚磷酸三苯酯; 亚磷酸三苯基酯

Database IDs

• CAS Number: 101-02-0
• EC Number: 202-908-4
• MDL Number: MFCD00003032
• Beilstein Number: 1079456
• PubChem SID: 162097116; 24900533; 24889800
• PubChem CID: 7540
• Chemspider ID: 7259
• Wikipedia Title: Triphenyl_phosphite

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9509997
• LogD (pH = 7.4): 5.951
• Log P: 5.951
• Molar Refractivity: 87.3095 cm^3
• Polarizability: 34.251812 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: organic solvents
• Apperance: colourless liquid
• Melting Point: 22–24 °C; 22-24 °C(lit.); 22-24°C; 64 - 68°C
• Boiling Point: 360 °C; 360 °C(lit.); 360°C
• Flash Point: 146°C(295°F); 210 °C; 410 °F
• Density: 1.184; 1.184 g/mL; 1.184 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.59(lit.)
• Vapor Pressure: 5 mmHg ( 205 °C)
• Vapor Density: 10.7 (vs air)
• Hydrophobicity(logP): 4.2
• Transition Temperature: solidification point 16-20 °C(lit.)
• Ligand For: Alkylations; Cycloadditions; Heck Reaction; Olefinations; Stille Coupling; Wittig Reaction

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: TH1575000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077; UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 36/38-50/53
• Safety Statements: 26-61; 28-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• Main Hazard: flammable
• GHS Hazard statements: H315-H319-H410; H400-H410-H315-H319
• GHS Precautionary statements: P273-P302+P352-P501A; P273-P305 + P351 + P338-P501
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥97.0% (HPLC); 95%; 95+%; 97%
• Grade: purum
• Linear Formula: (C6H5O)3P

DETAILS

MP Biomedicals - 05219575

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T84654

Application
Used to convert alcohols to alkyl halides, as a peptide coupling agent, and, in combination with ozone, as a low-temperature source of singlet oxygen, and ligand for metal-catalyzed reactions.
Packaging
3 kg in glass bottle
5, 500 g in glass bottle