potassium trifluoro(4-iodophenyl)boranuide

• ChemBase ID: 142920
• Molecular Formular: C6H4BF3IK
• Molecular Mass: 309.9049396
• Monoisotopic Mass: 309.90399487
• SMILES: [B-](c1ccc(cc1)I)(F)(F)F.[K+]
• Canonical SMILES: F[B-](c1ccc(cc1)I)(F)F.[K+]
• InChI: InChI=1S/C6H4BF3I.K/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H;/q-1;+1
• InChIKey: WTXNSBOVCAXUGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(4-iodophenyl)boranuide
• IUPAC Traditional name: potassium trifluoro(4-iodophenyl)boranuide
• Synonyms: Potassium 4-iodophenyltrifluoroborate; 4-碘苯基三氟硼酸钾

Database IDs

• CAS Number: 912350-00-6
• MDL Number: MFCD09800738
• PubChem SID: 162237146
• PubChem CID: 23688160

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1203
• LogD (pH = 7.4): 3.1203
• Log P: 3.1203
• Molar Refractivity: 43.3407 cm^3
• Polarizability: 17.41361 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141-148 °C; 297-299°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥96%; 96%
• Empirical Formula (Hill Notation): C6H4BF3IK

DETAILS

Sigma Aldrich - 706108

Packaging
1, 5 g in glass bottle