potassium triphenylboranuide

• ChemBase ID: 145317
• Molecular Formular: C18H15BK
• Molecular Mass: 281.221
• Monoisotopic Mass: 281.09038756
• SMILES: [B-](c1ccccc1)(c1ccccc1)c1ccccc1.[K+]
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)c1ccccc1.[K+]
• InChI: InChI=1S/C18H16B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,19H;/q-1;+1
• InChIKey: RHWPQWOBMSRXHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium triphenylboranuide
• IUPAC Traditional name: potassium triphenylboranuide
• Synonyms: Potassium triphenylborohydride solution; 三苯基硼氢化钾 溶液

Database IDs

• CAS Number: 99747-36-1
• MDL Number: MFCD00012308
• PubChem SID: 162239523; 24858235
• PubChem CID: 20332288

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9806
• LogD (pH = 7.4): 3.9806
• Log P: 3.9806
• Molar Refractivity: 77.2229 cm^3
• Polarizability: 32.213573 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -.4 °F; -18 °C
• Density: 0.94 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H315-H319-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: KB(C6H5)3H

DETAILS

Sigma Aldrich - 302139

Packaging
50 mL in Sure/Seal™
Application

• Reducing agent1
• Reagent for the reduction of a,β-unsaturated carboxylic acid derivatives2