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1513-66-2 molecular structure
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2,3-difluoropyridine

ChemBase ID: 18896
Molecular Formular: C5H3F2N
Molecular Mass: 115.0808264
Monoisotopic Mass: 115.02335554
SMILES and InChIs

SMILES:
c1cnc(c(c1)F)F
Canonical SMILES:
Fc1ncccc1F
InChI:
InChI=1S/C5H3F2N/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey:
OGVLEPMNNPZAPS-UHFFFAOYSA-N

Cite this record

CBID:18896 http://www.chembase.cn/molecule-18896.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-difluoropyridine
IUPAC Traditional name
2,3-difluoropyridine
Synonyms
2,3-Difluoropyridine
2,3-Difluoropyridine
2,3-Difluoropyridine 97%
2,3-二氟吡啶
CAS Number
1513-66-2
MDL Number
MFCD04114143
PubChem SID
160982203
PubChem CID
2783176

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4349079  LogD (pH = 7.4) 1.4349079 
Log P 1.4349079  Molar Refractivity 25.3486 cm3
Polarizability 8.945717 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
125-126°C expand Show data source
125-126°C expand Show data source
Flash Point
26 °C expand Show data source
31°C(88°F) expand Show data source
78.8 °F expand Show data source
Density
1.265 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.427 expand Show data source
Hydrophobicity(logP)
0.953 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT, FLAMMABLE expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) 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
2 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
10-22-41-50 expand Show data source
10-36/37/38 expand Show data source
Safety Statements
16-25-26-36/37/39-45-61 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
GHS05 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H302-H318-H400 expand Show data source
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
P273-P280-P305 + P351 + P338 expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H3F2N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 718173 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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