tetrabutylazanium; tetrafluoroboranuide

• ChemBase ID: 9903
• Molecular Formular: C16H36BF4N
• Molecular Mass: 329.2683528
• Monoisotopic Mass: 329.28769344
• SMILES: F[B-](F)(F)F.[N+](CCCC)(CCCC)(CCCC)CCCC
• Canonical SMILES: F[B-](F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1
• InChIKey: NNZZSJSQYOFZAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium; tetrafluoroboranuide
• IUPAC Traditional name: tetrabutylammonium ion tetrafluoroborate; tetrabutylammonium tetrafluoroborate
• Synonyms: Tetrabutylammonium tetrafluoroborate 99%; Tetra-n-butylammonium tetrafluoroborate; Tetrabutylammonium tetrafluoroborate; TETRABUTYLAMMONIUM TETRAFLUOROBORATE; 四丁基四氟硼酸铵

Database IDs

• CAS Number: 429-42-5
• EC Number: 207-058-8
• MDL Number: MFCD00011634
• Beilstein Number: 3577508
• PubChem SID: 160973210; 24888812; 24853042
• PubChem CID: 67932

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: methanol: soluble0.1 g/mL, clear, colorless
• Melting Point: 155-161 °C; 155-161 °C(lit.); 155-162°C; 158-162°C; 159-162 °C
• Flash Point: >199.4 °F; >93 °C

Safety Information

• Storage Condition: 0°C
• Storage Warning: Harmful/Irritant/Hygroscopic/Moisture Sensitive/Store under Argon; HYGROSCOPIC, TOXIC
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36; 26-39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.0% (T); ≥99.0%; ≥99.0% (T); 98%; 99%
• Grade: for electrochemical analysis; puriss.; purum
• Impurities: ≤2% water
• Linear Formula: (CH3CH2CH2CH2)4N(BF4)

DETAILS

MP Biomedicals - 02152105

Purity: 99%
Phase transfer catalyst.

Apollo Scientific Ltd - PC6635

Electrolyte additive used in the synthesis of electrically conducting poly(thiophene) polymers, JOC., 1994,59, 442

Sigma Aldrich - 217964

Packaging
5, 25, 100 g in poly bottle
Application
Used to prepare other tetrabutylammonium salts in aqueous solutions.1 Electrolyte additive in the synthesis of conducting poly(thiophenes).2

Sigma Aldrich - 86896

General description
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