(2-methoxyphenyl)diphenylphosphane

• ChemBase ID: 147521
• Molecular Formular: C19H17OP
• Molecular Mass: 292.311441
• Monoisotopic Mass: 292.10170179
• SMILES: COc1ccccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: COc1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17OP/c1-20-18-14-8-9-15-19(18)21(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3
• InChIKey: GBXNVYBGIFEOEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)diphenylphosphane
• IUPAC Traditional name: (2-methoxyphenyl)diphenylphosphane
• Synonyms: (2-Methoxyphenyl)diphenylphosphine; (o-Methoxyphenyl)diphenylphosphine; 2-(Diphenylphosphino)anisole; Diphenyl(o-anisyl)phosphine; Diphenyl(o-methoxyphenyl)phosphine; Diphenyl(2-methoxyphenyl)phosphine; 对茴香基二苯基膦

Database IDs

• CAS Number: 53111-20-9
• MDL Number: MFCD00008361
• PubChem SID: 162241709; 24857299
• PubChem CID: 603401

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8539
• LogD (pH = 7.4): 4.8539
• Log P: 4.8539
• Molar Refractivity: 88.0861 cm^3
• Polarizability: 34.809208 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124-126 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: (C6H5)2PC6H4OCH3

DETAILS

Sigma Aldrich - 287865

Packaging
1 g in glass bottle