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137718-84-4 molecular structure
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3,4-dibromo-2-fluoropyridine

ChemBase ID: 71307
Molecular Formular: C5H2Br2FN
Molecular Mass: 254.8824832
Monoisotopic Mass: 252.85380129
SMILES and InChIs

SMILES:
c1(c(nccc1Br)F)Br
Canonical SMILES:
Brc1c(Br)ccnc1F
InChI:
InChI=1S/C5H2Br2FN/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChIKey:
RALUGCFMNLTFAK-UHFFFAOYSA-N

Cite this record

CBID:71307 http://www.chembase.cn/molecule-71307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-dibromo-2-fluoropyridine
IUPAC Traditional name
3,4-dibromo-2-fluoropyridine
Synonyms
3,4-Dibromo-2-fluoropyridine
3,4-Dibromo-2-fluoropyridine
3,4-二溴-2-二氟吡啶
CAS Number
137718-84-4
MDL Number
MFCD09037460
PubChem SID
162036897
PubChem CID
15135082

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8297112  LogD (pH = 7.4) 2.8297112 
Log P 2.8297112  Molar Refractivity 40.3778 cm3
Polarizability 15.411598 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)
Melting Point
74-77°C expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
UN Number
UN2811 expand Show data source
MSDS Link
Download 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
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H331-H302-H312-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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