(methoxymethyl)triphenylphosphanium bromide

• ChemBase ID: 74875
• Molecular Formular: C20H20BrOP
• Molecular Mass: 387.249961
• Monoisotopic Mass: 386.04351389
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)COC.[Br-]
• Canonical SMILES: COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C20H20OP.BrH/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
• InChIKey: NOCGROPYCGRERZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (methoxymethyl)triphenylphosphanium bromide
• IUPAC Traditional name: (methoxymethyl)triphenylphosphanium bromide
• Synonyms: (Methoxymethyl)tris(phenyl)phosphonium bromide; (Methoxymethyl)triphenylphosphonium bromide

Database IDs

• CAS Number: 33670-32-5
• MDL Number: MFCD00075442
• PubChem SID: 162039793
• PubChem CID: 2773654

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3299503
• LogD (pH = 7.4): 4.3299503
• Log P: 4.3299503
• Molar Refractivity: 93.3594 cm^3
• Polarizability: 36.911068 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230°C

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Store under Argon

Product Information

• Purity: 95+%; 98%