tris(3-methoxyphenyl)phosphane

• ChemBase ID: 137603
• Molecular Formular: C21H21O3P
• Molecular Mass: 352.363401
• Monoisotopic Mass: 352.12283116
• SMILES: COc1cccc(c1)P(c1cccc(c1)OC)c1cccc(c1)OC
• Canonical SMILES: COc1cccc(c1)P(c1cccc(c1)OC)c1cccc(c1)OC
• InChI: InChI=1S/C21H21O3P/c1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3/h4-15H,1-3H3
• InChIKey: CCXTYQMZVYIQRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3-methoxyphenyl)phosphane
• IUPAC Traditional name: tris(3-methoxyphenyl)phosphane
• Synonyms: Tris(3-methoxyphenyl)phosphine; Tri(m-anisyl)phosphine; Tris(m-anisyl)phosphine; 三(3-甲氧基苯基)膦

Database IDs

• CAS Number: 29949-84-6
• MDL Number: MFCD00008386
• PubChem SID: 162231865
• PubChem CID: 141534

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3485
• LogD (pH = 7.4): 4.3485
• Log P: 4.3485
• Molar Refractivity: 101.0125 cm^3
• Polarizability: 39.788162 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113-115 °C(lit.); 113-115°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Linear Formula: (CH3OC6H4)3P