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138006-41-4 molecular structure
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3-bromo-2,5-dichloropyridine

ChemBase ID: 22236
Molecular Formular: C5H2BrCl2N
Molecular Mass: 226.88608
Monoisotopic Mass: 224.87476643
SMILES and InChIs

SMILES:
c1(cnc(c(c1)Br)Cl)Cl
Canonical SMILES:
Clc1cnc(c(c1)Br)Cl
InChI:
InChI=1S/C5H2BrCl2N/c6-4-1-3(7)2-9-5(4)8/h1-2H
InChIKey:
CDBHWRZEXFQNBI-UHFFFAOYSA-N

Cite this record

CBID:22236 http://www.chembase.cn/molecule-22236.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-2,5-dichloropyridine
IUPAC Traditional name
3-bromo-2,5-dichloropyridine
Synonyms
3-Bromo-2,5-dichloropyridine
3-Bromo-2,5-dichloropyridine
3-溴-2,5-二氯吡啶
CAS Number
138006-41-4
MDL Number
MFCD06659484
PubChem SID
160985543
PubChem CID
12901596

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9525926  LogD (pH = 7.4) 2.9525926 
Log P 2.9525926  Molar Refractivity 42.1948 cm3
Polarizability 16.362581 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
38-40°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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
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
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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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