sodiumamine triphenyl(propan-2-yl)phosphanium bromide

• ChemBase ID: 134445
• Molecular Formular: C21H24BrNNaP
• Molecular Mass: 424.289491
• Monoisotopic Mass: 423.07274268
• SMILES: CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N[Na].[Br-]
• Canonical SMILES: CC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Na]N.[Br-]
• InChI: InChI=1S/C21H22P.BrH.H2N.Na/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;;;/h3-18H,1-2H3;1H;1H2;/q+1;;-1;+1/p-1
• InChIKey: GJZNHDOXOMAUCF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodiumamine triphenyl(propan-2-yl)phosphanium bromide
• IUPAC Traditional name: isopropyltriphenylphosphanium sodiumamine bromide
• Synonyms: Isopropyltriphenylphosphonium bromide - sodium amide mixture; 溴化异丙基三苯膦 - 氨基钠混合物

Database IDs

• CAS Number: 238083-06-2
• MDL Number: MFCD00043176
• PubChem SID: 162228721; 24881699
• PubChem CID: 71308802

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.297396
• LogD (pH = 7.4): 5.297396
• Log P: 5.297396
• Molar Refractivity: 96.4378 cm^3
• Polarizability: 38.127544 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 1390
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 14/15-19-29-34-37-50
• Safety Statements: 26-36/37/39-43-45-61
• GHS Pictograms: GHS02; GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H314-H335-H400
• GHS Precautionary statements: P231 + P232-P261-P273-P280-P305 + P351 + P338-P422
• RID/ADR: UN 1390 4.3/PG 2
• Supplemental Hazard Statements: Contact with water liberates toxic gas., May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Quality: 1 g contains ~2.3 mmol phosphonium bromide

DETAILS

Sigma Aldrich - 59750

Other Notes
Ready-to-use mixture for the preparation of the corresponding ylide in THF1
Quantity
1 mL contains ~1.6 mmol phosphonium bromide