potassium trifluoro(methoxymethyl)boranuide

• ChemBase ID: 98011
• Molecular Formular: C2H5BF3KO
• Molecular Mass: 151.9650096
• Monoisotopic Mass: 152.00226152
• SMILES: O(C)C[B-](F)(F)F.[K+]
• Canonical SMILES: F[B-](COC)(F)F.[K+]
• InChI: InChI=1S/C2H5BF3O.K/c1-7-2-3(4,5)6;/h2H2,1H3;/q-1;+1
• InChIKey: WNVXSBCLLHGATG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(methoxymethyl)boranuide
• IUPAC Traditional name: potassium ion trifluoro(methoxymethyl)boranuide; potassium trifluoro(methoxymethyl)boranuide
• Synonyms: Potassium (methoxymethyl)trifluoroborate; Potassium methoxymethyltrifluoroborate; 甲氧基-甲基三氟硼酸钾

Database IDs

• CAS Number: 910251-11-5
• MDL Number: MFCD10566517
• PubChem SID: 162084484
• PubChem CID: 45588148

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6871
• LogD (pH = 7.4): 0.6871
• Log P: 0.6871
• Molar Refractivity: 16.2404 cm^3
• Polarizability: 7.0697584 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%