Home > Compound List > Compound details
131307-35-2 molecular structure
click picture or here to close

1-fluoropyridin-1-ium; pyridine; tetrafluoroboranuide; trifluoroborane

ChemBase ID: 302327
Molecular Formular: C10H10B2F8N2
Molecular Mass: 331.8090256
Monoisotopic Mass: 332.09023489
SMILES and InChIs

SMILES:
B(F)(F)F.[B-](F)(F)(F)F.c1ccncc1.c1cc[n+](cc1)F
Canonical SMILES:
c1cccnc1.F[B-](F)(F)F.F[n+]1ccccc1.FB(F)F
InChI:
InChI=1S/C5H5FN.C5H5N.BF4.BF3/c6-7-4-2-1-3-5-7;1-2-4-6-5-3-1;2-1(3,4)5;2-1(3)4/h1-5H;1-5H;;/q+1;;-1;
InChIKey:
BSBNMUUTZSTDRU-UHFFFAOYSA-N

Cite this record

CBID:302327 http://www.chembase.cn/molecule-302327.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoropyridin-1-ium; pyridine; tetrafluoroboranuide; trifluoroborane
IUPAC Traditional name
1-fluoropyridin-1-ium boron trifluoride pyridine tetrafluoroborate
Synonyms
AccuFluor NFPy
N-Fluoropyridinium pyridine heptafluorodiborate
N-氟吡啶鎓吡啶七氟二硼酯
CAS Number
131307-35-2
MDL Number
MFCD00142628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L13231 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L13231 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.413013  H Acceptors
H Donor LogD (pH = 5.5) -1.5551056 
LogD (pH = 7.4) -1.5551056  Log P -1.5551056 
Molar Refractivity 27.2718 cm3 Polarizability 9.315257 Å3
Polar Surface Area 3.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
196-200°C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
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
Purity
90+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • AccuFluor is a registered trademark of AlliedSignal Inc.
  • • Technical brochure available on request.
  • • Stable, non-hygroscopic, water- and organic-soluble, moderately powerful electrophilic fluorinating agent, especially for transfer of fluorine to reactive sites of activated olefins (enol esters, silyl enol ethers, enamines) and sulfides. The reactions can be carried out in conventional glass equipment in a solvent such as acetonitrile: J. Org. Chem., 56, 5962 (1991).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle