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343781-41-9 molecular structure
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3,5-dichloro-4-iodopyridine

ChemBase ID: 52676
Molecular Formular: C5H2Cl2IN
Molecular Mass: 273.88655
Monoisotopic Mass: 272.86090243
SMILES and InChIs

SMILES:
c1(c(cncc1Cl)Cl)I
Canonical SMILES:
Clc1cncc(c1I)Cl
InChI:
InChI=1S/C5H2Cl2IN/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKey:
DEXLTMBFLWCGNF-UHFFFAOYSA-N

Cite this record

CBID:52676 http://www.chembase.cn/molecule-52676.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dichloro-4-iodopyridine
IUPAC Traditional name
3,5-dichloro-4-iodopyridine
Synonyms
3,5-Dichloro-4-iodopyridine
3,5-Dichloro-4-iodopyridine
3,5-二氯-4-碘吡啶
CAS Number
343781-41-9
MDL Number
MFCD03094687
PubChem SID
162057439
24883930
PubChem CID
2736004

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2736004 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8926034  LogD (pH = 7.4) 2.8926072 
Log P 2.8926072  Molar Refractivity 46.8732 cm3
Polarizability 18.721725 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
186-190 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
Risk Statements
22-37/38-41 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H2Cl2IN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 653136 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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