(methoxymethyl)triphenylphosphanium sodiumamine bromide

• ChemBase ID: 149824
• Molecular Formular: C20H22BrNNaOP
• Molecular Mass: 426.262311
• Monoisotopic Mass: 425.05200724
• SMILES: COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N[Na].[Br-]
• Canonical SMILES: COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Na]N.[Br-]
• InChI: InChI=1S/C20H20OP.BrH.H2N.Na/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;1H2;/q+1;;-1;+1/p-1
• InChIKey: VXUYDQMCBFVEIQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (methoxymethyl)triphenylphosphanium sodiumamine bromide
• IUPAC Traditional name: (methoxymethyl)triphenylphosphanium sodiumamine bromide
• Synonyms: (Methoxymethyl)triphenylphosphonium bromide + Sodium amide; (甲氧基甲基)三苯基溴化膦 + 氨基钠

Database IDs

• MDL Number: MFCD00043175
• PubChem SID: 162243986
• PubChem CID: 71311430

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

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1390
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 14-34-37
• Safety Statements: 26-36/37/39-45
• RID/ADR: UN 1390 4.3/PG 2

DETAILS

Sigma Aldrich - 359416

Packaging
2 g in glass bottle