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14635-75-7 molecular structure
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iminooxidanium; tetrafluoroboranuide

ChemBase ID: 98307
Molecular Formular: BF4NO
Molecular Mass: 116.8107128
Monoisotopic Mass: 117.00090691
SMILES and InChIs

SMILES:
N#[O+].[B-](F)(F)(F)F
Canonical SMILES:
F[B-](F)(F)F.[O+]#N
InChI:
InChI=1S/BF4.NO/c2-1(3,4)5;1-2/q-1;+1
InChIKey:
KGCNVGDHOSFKFT-UHFFFAOYSA-N

Cite this record

CBID:98307 http://www.chembase.cn/molecule-98307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iminooxidanium; tetrafluoroboranuide
IUPAC Traditional name
nitrosonium tetrafluoroborate
Synonyms
Nitrosyl tetrafluoroborate
Nitrosonium tetrafluoroborate 98%
Nitrosonium tetrafluoroborate
Nitrosyl tetrafluoroborate
Nitrosonium tetrafluoroborate
四氟硼酸亚硝
亚硝四氟硼酸盐
四氟硼酸亚硝鎓
CAS Number
14635-75-7
EC Number
238-679-2
MDL Number
MFCD00011433
Merck Index
146649
PubChem SID
162084753
24886632
24850360
PubChem CID
11137142

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)
Melting Point
250(subl.)°C expand Show data source
250°C subl. expand Show data source
Boiling Point
250°C/0.01mm subl. expand Show data source
Density
2.185 expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon/Keep Cold expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3260 expand Show data source
UN3260 expand Show data source
MSDS Link
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
31-34 expand Show data source
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
7/8-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 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
P280-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
RID/ADR
UN 3260 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (T) expand Show data source
95% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
NOBF4 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC5290 external link
Versatile crystalline nitrosating agent. Converts arylamines to aryl fluorides via diazonium tetrafluoroborates: Chem. Ber., 88, 1939 (1995).. in Teflon bottles
Sigma Aldrich - 175064 external link
Packaging
5, 25, 50 g in amber poly

REFERENCES

REFERENCES

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  • • Undergoes an interesting insertion reaction with diarylcyclopropanes: Chem. Lett., 233 (1988):
  • • With excess reagent, oxidation of the isoxazoline to the isoxazole occurs.
  • • Crystalline nitrosating agent: Secondary amines to nitrosamines: Chem. Ber., 89, 2374 (1956); deamination of primary amides: J. Org. Chem., 30, 2386 (1965); conversion of arylhydrazines to azides: Tetrahedron Lett., 28, 5091 (1987). In organic solvents, converts arylamines directly to diazonium tetrafluoroborates which undergo the Balz-Schiemann reaction (see Tetrafluoroboric acid, L14037) in situ to give high yields of aryl fluorides: Chem. Ber., 88, 1939 (1955); EP 430,434 (1991). Methyl or methoxy substituted aromatics in acetonitrile give the nitrosoaromatics in good yield: J. Org. Chem., 59, 5573 (1994).
  • • Convenient catalyst for iodination of aromatics by iodide ion with air as oxidant: J. Org. Chem., 53, 3548 (1988), or for addition of iodine (or iodine + nucleophile) to alkenes: Acta Chem. Scand. B, 43, 902 (1989).
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PATENTS

PATENTS

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INTERNET

INTERNET

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