methyltriphenylphosphanium sodiumamine bromide

• ChemBase ID: 138899
• Molecular Formular: C19H20BrNNaP
• Molecular Mass: 396.236331
• Monoisotopic Mass: 395.04144256
• SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N[Na].[Br-]
• Canonical SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Na]N.[Br-]
• InChI: InChI=1S/C19H18P.BrH.H2N.Na/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;;;/h2-16H,1H3;1H;1H2;/q+1;;-1;+1/p-1
• InChIKey: CRLYHSUSQLYCCZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: methyltriphenylphosphanium sodiumamine bromide
• IUPAC Traditional name: methyltriphenylphosphanium sodiumamine bromide
• Synonyms: Methyltriphenylphosphonium bromide + Sodium amide; Methyltriphenylphosphonium bromide - sodium amide mixture; 甲基三苯基溴化膦 + 氨基钠; 甲基三苯基溴化膦 - 氨基钠混合物

Database IDs

• MDL Number: MFCD00066549
• PubChem SID: 24885942; 24862059; 162233150
• PubChem CID: 16212304

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.731569
• LogD (pH = 7.4): 4.731569
• Log P: 4.731569
• Molar Refractivity: 87.172 cm^3
• Polarizability: 34.434486 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

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: 14/15-19-20/21/22-34-50; 14-34-37
• Safety Statements: 26-36/37/39-43-45-61; 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H302-H312-H314-H332-H400
• GHS Precautionary statements: P231 + P232-P273-P280-P305 + P351 + P338-P310-P422
• RID/ADR: UN 1390 4.3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Quality: 1 g contains ~2.4 mmol phosphonium bromide

DETAILS

Sigma Aldrich - 359211

Other Notes
Contains ~2.4mM/g of methyltriphenylphosphonium bromide

Sigma Aldrich - 69500

Other Notes
Ready-to-use mixture for the preparation of the corresponding ylide in THF1,2