dibutylazanium; tetrafluoroboranuide

• ChemBase ID: 94769
• Molecular Formular: C8H20BF4N
• Molecular Mass: 217.0557128
• Monoisotopic Mass: 217.16249293
• SMILES: [B-](F)(F)(F)F.[NH2+](CCCC)CCCC
• Canonical SMILES: F[B-](F)(F)F.CCCC[NH2+]CCCC
• InChI: InChI=1S/C8H19N.BF4/c1-3-5-7-9-8-6-4-2;2-1(3,4)5/h9H,3-8H2,1-2H3;/q;-1/p+1
• InChIKey: CAZKFGXFAVXKIF-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylazanium; tetrafluoroboranuide
• IUPAC Traditional name: dibutylazanium tetrafluoroborate
• Synonyms: Di-n-butylammonium tetrafluoroborate 98%; Di-n-butylammonium tetrafluoroborate; DI-n-BUTYLAMMONIUM TETRAFLUOROBORATE; 二丁基四氟硼酸铵

Database IDs

• CAS Number: 12107-76-5
• EC Number: 235-162-3
• MDL Number: MFCD00034899
• PubChem SID: 162081423
• PubChem CID: 25510

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -0.78286564
• LogD (pH = 7.4): -0.5371046
• Log P: 2.4549196
• Molar Refractivity: 53.8555 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 16.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 266°C

Safety Information

• Storage Warning: Corrosive
• RTECS: HR8402000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05208109

MP Biomedicals Rare Chemical collection