bis(2-methoxyphenyl)(phenyl)phosphane

• ChemBase ID: 137431
• Molecular Formular: C20H19O2P
• Molecular Mass: 322.337421
• Monoisotopic Mass: 322.11226648
• SMILES: COc1ccccc1P(c1ccccc1)c1ccccc1OC
• Canonical SMILES: COc1ccccc1P(c1ccccc1OC)c1ccccc1
• InChI: InChI=1S/C20H19O2P/c1-21-17-12-6-8-14-19(17)23(16-10-4-3-5-11-16)20-15-9-7-13-18(20)22-2/h3-15H,1-2H3
• InChIKey: MVKZAEARORRRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methoxyphenyl)(phenyl)phosphane
• IUPAC Traditional name: bis(2-methoxyphenyl)(phenyl)phosphane
• Synonyms: Bis(2-methoxyphenyl)phenylphosphine; 双(2-甲氧基苯基)苯基膦

Database IDs

• CAS Number: 36802-41-2
• MDL Number: MFCD00061478
• PubChem SID: 162231694; 24872285
• PubChem CID: 4405408

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6012
• LogD (pH = 7.4): 4.6012
• Log P: 4.6012
• Molar Refractivity: 94.5493 cm^3
• Polarizability: 37.29245 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158-163 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%
• Linear Formula: (CH3OC6H4)2PC6H5