methyl diphenylphosphinite

• ChemBase ID: 75022
• Molecular Formular: C13H13OP
• Molecular Mass: 216.215481
• Monoisotopic Mass: 216.07040167
• SMILES: P(c1ccccc1)(c1ccccc1)OC
• Canonical SMILES: COP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H13OP/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
• InChIKey: OAADXJFIBNEPLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl diphenylphosphinite
• IUPAC Traditional name: methyl diphenylphosphinite
• Synonyms: Methyldiphenyl phosphinite; Methoxydiphenylphosphine; NSC 171167; Diphenylmethoxyphosphine; Methyl diphenylphosphinite; Diphenylphosphinous acid methyl ester; 二苯基甲氧基膦; 甲氧基二苯基磷

Database IDs

• CAS Number: 4020-99-9
• EC Number: 223-683-9
• MDL Number: MFCD00048025
• Beilstein Number: 1640480
• PubChem SID: 24848958; 162039940
• PubChem CID: 77636

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6961
• LogD (pH = 7.4): 3.6961
• Log P: 3.6961
• Molar Refractivity: 63.1955 cm^3
• Polarizability: 25.181818 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 148-150°C/6mm; 149 °C/6 mmHg(lit.)
• Flash Point: >110°C(230°F); >113 °C; >235.4 °F
• Density: 1.078; 1.078 g/mL at 25 °C(lit.)
• Refractive Index: 1.6040; n20/D 1.604(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98+%
• Linear Formula: (C6H5)2POCH3

DETAILS

Sigma Aldrich - 149497

Packaging
5 g in glass bottle
Application
Ased as:
• Catalyst for hydroformylative desymmetrization of bisalkenyl carbinols and bishomoallylic carbinols1
• Ligand in rhodium-catalyzed hydroformylation of bishomoallylic alcohols2
• Calatyst in preparation of γ-lactones via branched-regioselective hydroformylation reactions3
• Ligand for nickel-catalyzed hydrocyanation reactions4
• Catalyst in annulation reactions5