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150114-71-9 molecular structure
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4-amino-3,6-dichloropyridine-2-carboxylic acid

ChemBase ID: 125801
Molecular Formular: C6H4Cl2N2O2
Molecular Mass: 207.01416
Monoisotopic Mass: 205.96498274
SMILES and InChIs

SMILES:
Clc1c(nc(Cl)cc1N)C(=O)O
Canonical SMILES:
Clc1cc(N)c(c(n1)C(=O)O)Cl
InChI:
InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)
InChIKey:
NIXXQNOQHKNPEJ-UHFFFAOYSA-N

Cite this record

CBID:125801 http://www.chembase.cn/molecule-125801.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-3,6-dichloropyridine-2-carboxylic acid
IUPAC Traditional name
aminopyralid
Synonyms
4-amino-3,6-dichloropicolinic acid
Aminopyralid
4-Amino-3,6-dichloro-2-pyridinecarboxylic Acid
Milestone-13C2,15N
4-Amino-3,6-dichloropyridine-2-carboxylic acid
Aminopyralid
CAS Number
150114-71-9
MDL Number
MFCD08273857
Beilstein Number
12065018
PubChem SID
162220148
PubChem CID
213012
Chemspider ID
184712
Wikipedia Title
Aminopyralid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.9441874  H Acceptors
H Donor LogD (pH = 5.5) -0.19015908 
LogD (pH = 7.4) -1.796196  Log P 1.3983471 
Molar Refractivity 46.1566 cm3 Polarizability 16.991934 Å3
Polar Surface Area 76.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Off-white powder expand Show data source
Melting Point
161.75 - 165.23°C expand Show data source
Density
1.72 (20°C, relative to water at 4°C) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
36 expand Show data source
Safety Statements
26 expand Show data source
R expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H4Cl2N2O2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 32457 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - A628820 external link
Aminopyralid is used as a herbicide for control weeds and arthropods.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Mitich, L., et al.: Weed Technol., 14, 231 (2000)
  • • Berisford, Y., et al.: Weed Sci., 54, 391 (2000)
  • • Westra, P., et al.: Proc. Weed Sci. Soc. America, 49, 407 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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