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13826-86-3 molecular structure
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dioxoazanium; tetrafluoroboranuide

ChemBase ID: 6427
Molecular Formular: BF4HNO2-
Molecular Mass: 133.8180528
Monoisotopic Mass: 134.00364656
SMILES and InChIs

SMILES:
O=[NH+][O-].F[B-](F)(F)F
Canonical SMILES:
F[B-](F)(F)F.[O-][NH+]=O
InChI:
InChI=1S/BF4.HNO2/c2-1(3,4)5;2-1-3/h;1H/q-1;
InChIKey:
XYRQURYIJKJVSF-UHFFFAOYSA-N

Cite this record

CBID:6427 http://www.chembase.cn/molecule-6427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dioxoazanium; tetrafluoroboranuide
IUPAC Traditional name
dioxidonitrogen(1+) tetrafluoroborate
Synonyms
Nitronium tetrafluoroborate
Nitronium tetrafluoroborate
Nitryl tetrafluoroborate
Nitronium tetrafluoroborate 95%
Nitronium tetrafluoroborate solution
Nitronium tetrafluoroborate 95%, 0.5M solution in sulpholane
四氟硼酸硝
四氟硼酸硝 溶液
CAS Number
13826-86-3
EC Number
237-533-5
MDL Number
MFCD00011432
PubChem SID
24850570
24862622
160969734
PubChem CID
26296

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.13  LogD (pH = 7.4) -1.13 
Log P -1.13  Molar Refractivity 6.0052 cm3
Polarizability 3.1085358 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Melting Point
ca 240°C dec. expand Show data source
Density
1.268 g/mL at 25 °C expand Show data source
1.29 g/mL at 20 °C expand Show data source
Storage Warning
Corrosive/Harmful/Moisture Sensitive/Keep Cold/Store under Argon expand Show data source
Corrosive/Hygroscopic/Keep Cold expand Show data source
HYGROSCOPIC, CORROSIVE expand Show data source
Moisture Sensitive expand Show data source
RTECS
QX8620000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3260 expand Show data source
3264 expand Show data source
UN3260 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
22-34-42/43 expand Show data source
34 expand Show data source
34-42/43 expand Show data source
Safety Statements
23-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314-H317-H334 expand Show data source
H314-H317-H334 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P261-P280-P305 + P351 + P338-P310 expand Show data source
P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3260 8/PG 2 expand Show data source
UN 3264 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95% expand Show data source
≥95.0% (T) expand Show data source
90% expand Show data source
95% expand Show data source
96% expand Show data source
Concentration
~0.5 M in sulfolane expand Show data source
0.5 M in sulfolane expand Show data source
Grade
purum expand Show data source
Quality
packed in PTFE bottles expand Show data source
Linear Formula
NO2BF4 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC5270 external link
Powerful nitrating agent. In Teflon bottle
Sigma Aldrich - 366153 external link
Packaging
5, 25 g in PFA/FEP bottle
Application
Reactant for preparation of:
• Anologues of SCH 39166 as potent and selective dopamine D1 receptor antagonists1
• Anticonvulsant agent SB-406725A2
• Nitro-derivatives of chlorambucil conjugated to prasterone and pregnenolone as anticancer agents3
• Nano-sized cryptomelane particles for the formation of potentiometric potassium ion sensors4
• Nitro- and aminoindole derivatives5
• Hydroxynitroalkyl esters as affectors of metabolism of sulfate-reducing bacteria6
• Fluorescence probes to monitor the generation of nitrative stress in neurodegenerative disorders7Used as:
• Oxidizing agent in high-power Li-ion battery technology for large-scale applications as required for plug-in hybrid vehicles8
Sigma Aldrich - 176303 external link
Packaging
200 mL in poly bottle
Application
Reactant for preparation of:
• Anologues of SCH 39166 as potent and selective dopamine D1 receptor antagonists1
• Anticonvulsant agent SB-406725A2
• Nitro-derivatives of chlorambucil conjugated to prasterone and pregnenolone as anticancer agents3
• Nano-sized cryptomelane particles for the formation of potentiometric potassium ion sensors4
• Nitro- and aminoindole derivatives5
• Hydroxynitroalkyl esters as affectors of metabolism of sulfate-reducing bacteria6
• Fluorescence probes to monitor the generation of nitrative stress in neurodegenerative disorders7Used as:
• Oxidizing agent in high-power Li-ion battery technology for large-scale applications as required for plug-in hybrid vehicles8
Sigma Aldrich - 73508 external link
Application
Reactant for preparation of:
• Anologues of SCH 39166 as potent and selective dopamine D1 receptor antagonists1
• Anticonvulsant agent SB-406725A2
• Nitro-derivatives of chlorambucil conjugated to prasterone and pregnenolone as anticancer agents3
• Nano-sized cryptomelane particles for the formation of potentiometric potassium ion sensors4
• Nitro- and aminoindole derivatives5
• Hydroxynitroalkyl esters as affectors of metabolism of sulfate-reducing bacteria6
• Fluorescence probes to monitor the generation of nitrative stress in neurodegenerative disorders7Used as:
• Oxidizing agent in high-power Li-ion battery technology for large-scale applications as required for plug-in hybrid vehicles8
Sigma Aldrich - 73509 external link
Application
Reactant for preparation of:
• Anologues of SCH 39166 as potent and selective dopamine D1 receptor antagonists1
• Anticonvulsant agent SB-406725A2
• Nitro-derivatives of chlorambucil conjugated to prasterone and pregnenolone as anticancer agents3
• Nano-sized cryptomelane particles for the formation of potentiometric potassium ion sensors4
• Nitro- and aminoindole derivatives5
• Hydroxynitroalkyl esters as affectors of metabolism of sulfate-reducing bacteria6
• Fluorescence probes to monitor the generation of nitrative stress in neurodegenerative disorders7Used as:
• Oxidizing agent in high-power Li-ion battery technology for large-scale applications as required for plug-in hybrid vehicles8

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Crystalline salt of the active species in the nitration of arenes. Enables nitration to be carried out in non-aqueous, non-acidic systems (typically in Sulfolane, A13466). For mono- and dinitration of o-tolunitrile without hydrolysis, see: J. Chem. Soc., 4257 (1956); J. Am. Chem. Soc., 83, 4564 (1961).
  • • In acetonitrile solution, addition of the nitronium ion to alkenes, followed by Ritter reaction of the resulting carbonium ion with the solvent, leads to the nitroacetamide: J. Org. Chem., 36, 3641 (1971).
  • • Allylsilanes undergo desilylative nitration with allylic rearrangement; in chiral systems the reaction is enantioselective, useful in the synthesis of (E)-olefin dipeptide isosteres: J. Org. Chem., 60, 7714 (1995).
  • • Has also been used for the oxidative cleavage of O-methyl ethers of aliphatic alcohols; e.g. benzyl methyl ether is cleaved to benzaldehyde: J. Org. Chem., 42, 3097 (1977). Ethylene dithioacetals are cleaved to carbonyl compounds: Synthesis, 273 (1979).
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PATENTS

PATENTS

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INTERNET

INTERNET

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