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2587-02-2 molecular structure
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2,6-dichloropyridin-4-amine

ChemBase ID: 15001
Molecular Formular: C5H4Cl2N2
Molecular Mass: 163.00466
Monoisotopic Mass: 161.9751535
SMILES and InChIs

SMILES:
c1c(nc(cc1N)Cl)Cl
Canonical SMILES:
Nc1cc(Cl)nc(c1)Cl
InChI:
InChI=1S/C5H4Cl2N2/c6-4-1-3(8)2-5(7)9-4/h1-2H,(H2,8,9)
InChIKey:
WAEZOSSWRXDWAX-UHFFFAOYSA-N

Cite this record

CBID:15001 http://www.chembase.cn/molecule-15001.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloropyridin-4-amine
IUPAC Traditional name
2,6-dichloropyridin-4-amine
Synonyms
2,6-Dichloropyridin-4-amine
2,6-Dichloropyridin-4-amine
4-Amino-2,6-dichloropyridine
2,6-Dichloro-4-aminopyridine
4-Amino-2,6-dichloropyridine
2,6-Dichloro-4-amino pyridine
NSC 136573
2,6-Dichloro-4-pyridinamine
2,6-二氯-4-氨基吡啶
4-氨基-2,6-二氯吡啶
CAS Number
2587-02-2
2587/2/2
EC Number
000-000-0
MDL Number
MFCD00052832
Beilstein Number
114351
PubChem SID
24880230
160978308
PubChem CID
137652

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5750716  LogD (pH = 7.4) 1.5750909 
Log P 1.5750911  Molar Refractivity 40.3337 cm3
Polarizability 14.517821 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
169-173 °C(lit.) expand Show data source
172-176°C expand Show data source
174-176°C expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H4Cl2N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 565342 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Altenbach, R., et al.: J. Med. Chem., 51, 6571 (2008)
  • • Namba, K., et al.: Bioorg. Med. Chem., 16, 6131 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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