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732306-31-9 molecular structure
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3,5-difluoropyridin-2-amine

ChemBase ID: 24236
Molecular Formular: C5H4F2N2
Molecular Mass: 130.0954664
Monoisotopic Mass: 130.03425458
SMILES and InChIs

SMILES:
c1(cnc(c(c1)F)N)F
Canonical SMILES:
Fc1cnc(c(c1)F)N
InChI:
InChI=1S/C5H4F2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
InChIKey:
JVLFMTZUPSBCNJ-UHFFFAOYSA-N

Cite this record

CBID:24236 http://www.chembase.cn/molecule-24236.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-difluoropyridin-2-amine
IUPAC Traditional name
3,5-difluoropyridin-2-amine
Synonyms
3,5-Difluoro-2-pyridinamine
2-Amino-3,5-difluoropyridine
2-Amino-3,5-difluoropyridine
2-氨基-3,5-二氟吡啶
CAS Number
732306-31-9
EC Number
000-000-0
MDL Number
MFCD03788760
PubChem SID
160987543
PubChem CID
2783238

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.99301  H Acceptors
H Donor LogD (pH = 5.5) 0.80644864 
LogD (pH = 7.4) 0.80650806  Log P 0.80650884 
Molar Refractivity 29.3478 cm3 Polarizability 10.129741 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
52-57 °C expand Show data source
52-59°C expand Show data source
55-57°C expand Show data source
55-59°C expand Show data source
Flash Point
177.8 °F expand Show data source
81 °C expand Show data source
81°C expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2811 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
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
9-26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
H331-H302-H312-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H4F2N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 734888 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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