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1513-65-1 molecular structure
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2,6-difluoropyridine

ChemBase ID: 9384
Molecular Formular: C5H3F2N
Molecular Mass: 115.0808264
Monoisotopic Mass: 115.02335554
SMILES and InChIs

SMILES:
c1c(nc(cc1)F)F
Canonical SMILES:
Fc1cccc(n1)F
InChI:
InChI=1S/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H
InChIKey:
MBTGBRYMJKYYOE-UHFFFAOYSA-N

Cite this record

CBID:9384 http://www.chembase.cn/molecule-9384.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-difluoropyridine
IUPAC Traditional name
2,6-difluoropyridine
Synonyms
2,6-Difluoropyridine
2,6-Difluoropyridine
2,6-Difluoropyridine
2,6-Difluoropyridine 99%
2,6-二氟吡啶
CAS Number
1513-65-1
EC Number
216-152-8
MDL Number
MFCD00006227
Beilstein Number
1422549
PubChem SID
24853965
160972691
PubChem CID
73934

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8288386  LogD (pH = 7.4) 1.8288386 
Log P 1.8288386  Molar Refractivity 26.3633 cm3
Polarizability 8.947749 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
123-124°C expand Show data source
124.5 °C/743 mmHg(lit.) expand Show data source
124.5°C/743mm expand Show data source
125°C expand Show data source
Flash Point
33 °C expand Show data source
33°C expand Show data source
33°C(91°F) expand Show data source
91.4 °F expand Show data source
Density
1.268 expand Show data source
1.268 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.437 expand Show data source
1.4370 expand Show data source
n20/D 1.437(lit.) expand Show data source
Storage Warning
Flammable/Irritant expand Show data source
IRRITANT, FLAMMABLE expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 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
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C5H3F2N expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC2886 external link
J. Chem. Soc., Perkin 1, 423 (1998): Sequential elimination of the fluorine atoms with nitrogen has resulted in the synthesis of linear and macrocyclic ligands.
Sigma Aldrich - 233277 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Sequential displacement of the fluorine atoms with nitrogen has been used in the synthesis of linear and macrocyclic ligands: J. Chem. Soc., Perkin 1, 423 (1998).
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PATENTS

PATENTS

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INTERNET

INTERNET

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