methyldiphenylphosphane

• ChemBase ID: 148682
• Molecular Formular: C13H13P
• Molecular Mass: 200.216081
• Monoisotopic Mass: 200.07548705
• SMILES: CP(c1ccccc1)c1ccccc1
• Canonical SMILES: CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H13P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
• InChIKey: UJNZOIKQAUQOCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyldiphenylphosphane
• IUPAC Traditional name: methyldiphenylphosphane
• Synonyms: Diphenylphosphinomethane; Diphenyl-methylphosphine; Methyldiphenylphosphine; 二苯基甲基膦; 甲基联苯膦

Database IDs

• CAS Number: 1486-28-8
• EC Number: 216-065-5
• MDL Number: MFCD00008508
• Beilstein Number: 743075
• PubChem SID: 162242857; 24854716
• PubChem CID: 73879

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7474
• LogD (pH = 7.4): 3.7474
• Log P: 3.7474
• Molar Refractivity: 61.6977 cm^3
• Polarizability: 24.55536 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-122 °C/1.5 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.076 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.625(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 99%
• Linear Formula: (C6H5)2PCH3

DETAILS

Sigma Aldrich - 244902

Packaging
1, 10, 50 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 244902.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.