potassium trifluoro(propan-2-yl)boranuide

• ChemBase ID: 140749
• Molecular Formular: C3H7BF3K
• Molecular Mass: 149.9921896
• Monoisotopic Mass: 150.02299696
• SMILES: [B-](C(C)C)(F)(F)F.[K+]
• Canonical SMILES: F[B-](C(C)C)(F)F.[K+]
• InChI: InChI=1S/C3H7BF3.K/c1-3(2)4(5,6)7;/h3H,1-2H3;/q-1;+1
• InChIKey: CATSGFLKVWWQST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(propan-2-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(isopropyl)boranuide
• Synonyms: Potassium isopropyltrifluoroborate; 异丙基三氟硼酸钾

Database IDs

• MDL Number: MFCD04112718
• PubChem SID: 24884887; 162234989
• PubChem CID: 23697353

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6678
• LogD (pH = 7.4): 1.6678
• Log P: 1.6678
• Molar Refractivity: 18.7822 cm^3
• Polarizability: 7.9870667 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C

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

• Purity: 97%
• Empirical Formula (Hill Notation): C3H7BF3K

DETAILS

Sigma Aldrich - 667153

Packaging
1 g in glass bottle