potassium tetrakis(thiophen-2-yl)boranuide

• ChemBase ID: 148025
• Molecular Formular: C16H12BKS4
• Molecular Mass: 382.43578
• Monoisotopic Mass: 381.95519646
• SMILES: [B-](c1cccs1)(c1cccs1)(c1cccs1)c1cccs1.[K+]
• Canonical SMILES: c1csc(c1)[B-](c1cccs1)(c1cccs1)c1cccs1.[K+]
• InChI: InChI=1S/C16H12BS4.K/c1-5-13(18-9-1)17(14-6-2-10-19-14,15-7-3-11-20-15)16-8-4-12-21-16;/h1-12H;/q-1;+1
• InChIKey: HNYWOQMQXVVVRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium tetrakis(thiophen-2-yl)boranuide
• IUPAC Traditional name: potassium tetrakis(thiophen-2-yl)boranuide
• Synonyms: Tetra-2-thienylborate potassium; Potassium tetrakis(2-thienyl)borate; 四(2-噻吩基)硼酸钾

Database IDs

• CAS Number: 184362-33-2
• MDL Number: MFCD01863504
• PubChem SID: 24870774; 162242205
• PubChem CID: 23675522

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2844
• LogD (pH = 7.4): 4.2844
• Log P: 4.2844
• Molar Refractivity: 86.96 cm^3
• Polarizability: 36.065193 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >350 °C(lit.)

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

Product Information

• Empirical Formula (Hill Notation): C16H12BKS4

DETAILS

Sigma Aldrich - 471941

Packaging
5 g in glass bottle
Application
Reactant for synthesis of:
• Dienes, trienes, and cyclohexenes by coupling of organic halides, internal alkynes or cyclohexadienes and organoboranes1,2