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113293-70-2 molecular structure
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2,6-dichloropyridine-4-carbaldehyde

ChemBase ID: 15040
Molecular Formular: C6H3Cl2NO
Molecular Mass: 176.00012
Monoisotopic Mass: 174.95916908
SMILES and InChIs

SMILES:
c1(cc(cc(n1)Cl)C=O)Cl
Canonical SMILES:
O=Cc1cc(Cl)nc(c1)Cl
InChI:
InChI=1S/C6H3Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-3H
InChIKey:
MVCMPKYZHKUBCL-UHFFFAOYSA-N

Cite this record

CBID:15040 http://www.chembase.cn/molecule-15040.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloropyridine-4-carbaldehyde
IUPAC Traditional name
2,6-dichloropyridine-4-carbaldehyde
Synonyms
2,6-dichloropyridine-4-carbaldehyde
2,6-Dichloropyridine-4-carbaldehyde
2,6-Dichloro-4-pyridinecarboxaldehyde
2,6-Dichloropyridine-4-carboxaldehyde
2,6-Dichloropyridine-4-carboxaldehyde
2,6-Dichloroisonicotinaldehyde
2,6-二氯吡啶-4-羧醛
2,6-二氯吡啶-4-甲醛
CAS Number
113293-70-2
MDL Number
MFCD00124816
PubChem SID
160978347
PubChem CID
2761024

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1165195  LogD (pH = 7.4) 2.1165195 
Log P 2.1165195  Molar Refractivity 42.2173 cm3
Polarizability 15.309641 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
44-48 °C expand Show data source
48 - 50 °C expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F 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
22-36-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H317-H319 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H3Cl2NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 709646 external link
Packaging
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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