but-2-en-1-yltriphenylphosphanium sodiumamine bromide

• ChemBase ID: 134494
• Molecular Formular: C22H24BrNNaP
• Molecular Mass: 436.300191
• Monoisotopic Mass: 435.07274268
• SMILES: C/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N[Na].[Br-]
• Canonical SMILES: C/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Na]N.[Br-]
• InChI: InChI=1S/C22H22P.BrH.H2N.Na/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;;;/h2-18H,19H2,1H3;1H;1H2;/q+1;;-1;+1/p-1
• InChIKey: XBIGSUAOEAHPOP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: but-2-en-1-yltriphenylphosphanium sodiumamine bromide
• IUPAC Traditional name: but-2-en-1-yltriphenylphosphanium sodiumamine bromide
• Synonyms: Crotyltriphenylphosphonium bromide - sodium amide mixture; 巴豆基三苯基溴化膦-氨基钠混合物

Database IDs

• MDL Number: MFCD00043183
• PubChem SID: 24856972; 162228770
• PubChem CID: 71308804

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7456756
• LogD (pH = 7.4): 5.7456756
• Log P: 5.7456756
• Molar Refractivity: 102.0574 cm^3
• Polarizability: 39.74598 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2923
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 14-34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2923 8/PG 3
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Quality: 1 g contains ~2.2 mmol phosphonium bromide

DETAILS

Sigma Aldrich - 28120

Other Notes
Ready-to-use mixture for the preparation of the ylide in THF1
Quantity
1 mL contains ~1.8 mmol phosphonium bromide