1,4-diethenylbenzene benzyltrimethylazanium ethenylbenzene boranuide

• ChemBase ID: 156795
• Molecular Formular: C28H37BN
• Molecular Mass: 398.41108
• Monoisotopic Mass: 398.30190559
• SMILES: [BH3-].C[N+](C)(C)Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• Canonical SMILES: C[N+](Cc1ccccc1)(C)C.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.[BH3-]
• InChI: InChI=1S/C10H16N.C10H10.C8H8.BH4/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;/h4-8H,9H2,1-3H3;3-8H,1-2H2;2-7H,1H2;1H4/q+1;;;-1
• InChIKey: NFFNSFWCCOOANZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene benzyltrimethylazanium ethenylbenzene boranuide
• IUPAC Traditional name: benzyltrimethylazanium divinylbenzene styrene boranuide
• Synonyms: Amberlyst® A-26 BH4--form; Borohydride on polymer support; Amberlyst® A-26 BH4--型; 聚合物负载的硼氢化物

Database IDs

• MDL Number: MFCD02688613
• PubChem SID: 24849581; 162250932
• PubChem CID: 45051647

CALCULATED PROPERTIES

• Acid pKa: 18.822325
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.247694
• LogD (pH = 7.4): -2.247694
• Log P: -2.247694
• Molar Refractivity: 60.5143 cm^3
• Polarizability: 19.203337 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Shelf Life: (limited shelf life)
• Extent of Labeling: 1.5-4.0 mmol/g BH4- loading
• Linear Formula: PS-C6H4CH2N(CH3)3BH4

DETAILS

Sigma Aldrich - 15595

Other Notes
Polymer supported reducing agent possessing greater selectivity than the corresponding alkali borohydrides; the used reagent is simply removed by filtration 1,2,3
Legal Information
Amberlyst is a registered trademark of The Dow Chemical Company or an affiliated company of Dow