hydrogen tetrafluoroboranuide

• ChemBase ID: 94278
• Molecular Formular: BF4-
• Molecular Mass: 86.8046128
• Monoisotopic Mass: 87.00291828
• SMILES: [B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F
• InChI: InChI=1S/BF4/c2-1(3,4)5/q-1
• InChIKey: ODGCEQLVLXJUCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen tetrafluoroboranuide
• IUPAC Traditional name: hydrogen(.) tetrafluoroborate; hydrogen tetrafluoroborate
• Synonyms: Tetrafluoroboric acid; Hydrogen tetrafluoroborate; Hydrogen tetrafluoroborate, 50% aqueous solution; Fluoroboric acid; Fluoboric acid; Tetrafluoroboric acid; 四氟硼酸

Database IDs

• CAS Number: 16872-11-0
• EC Number: 240-898-3
• MDL Number: MFCD00011345; MFCD05662248
• Merck Index: 144149
• PubChem SID: 162080933
• PubChem CID: 28118

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 3.1085358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 130(dec.)°C; 130°C dec.
• Flash Point: 66°C
• Density: 1.41; 1.410; 1.44

Safety Information

• Storage Warning: Corrosive/Lachrymatory
• RTECS: ED2685000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN1775
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-27-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 48% min w/w aq. soln.; ca 50% w/w aq. soln.

REFERENCES

• Precursor of tetrafluoroborate salts of various stabilized cations. See, e.g.: Org. Synth. Coll., 5, 1135 (pyrylium), 1138 (tropylium); 6, 364 (sulfonium), 991 (cyclopropenium).
• Addition to aqueous solutions of aryldiazonium salts usually results in precipitation of the diazonium tetrafluoroborates, which are often stable enough to be isolated, and can undergo various reactions in non-aqueous solvents. For hydrodediazoniation in the presence of formamide, see: J. Chem. Soc., Perkin 1, 873 (1986). Probably their most important use is the Schiemann (or Balz-Schiemann) synthesis of aryl fluorides in which the tetrafluoroborate salt is heated neat or in an inert solvent. For examples, see: Org. Synth. Coll., 2, 188, 295, 299 (1943). Reviews: Org. React., 5, 193 (1949); Adv. Fluorine. Chem., 4, 1 (1965). See also Hexafluorophosphoric acid, L15728.