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20511-15-3 molecular structure
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4-chloropyridin-3-amine

ChemBase ID: 13677
Molecular Formular: C5H5ClN2
Molecular Mass: 128.5596
Monoisotopic Mass: 128.01412585
SMILES and InChIs

SMILES:
c1cncc(c1Cl)N
Canonical SMILES:
Nc1cnccc1Cl
InChI:
InChI=1S/C5H5ClN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
InChIKey:
GTLFLMZOABSJSV-UHFFFAOYSA-N

Cite this record

CBID:13677 http://www.chembase.cn/molecule-13677.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloropyridin-3-amine
IUPAC Traditional name
4-chloropyridin-3-amine
Synonyms
4-Chloro-pyridin-3-ylamine
4-Chloro-3-pyridinamine
3-Amino-4-chloropyridine
3-Amino-4-chloropyridine
4-Chloropyridin-3-amine
4-chloropyridin-3-amine
3-氨基-4-氯吡啶
CAS Number
20511-15-3
MDL Number
MFCD00235124
Beilstein Number
110187
PubChem SID
160976984
PubChem CID
581932

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.50422096  LogD (pH = 7.4) 0.53034616 
Log P 0.5306921  Molar Refractivity 33.4063 cm3
Polarizability 12.464681 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)
Apperance
Slight Brown Crystalline Solid expand Show data source
Melting Point
58-63 °C expand Show data source
59.5-60.5°C expand Show data source
59-61°C expand Show data source
59-62°C expand Show data source
Hydrophobicity(logP)
1.058 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
X 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
25-37/38-41 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H318-H335 expand Show data source
H302-H312-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338 expand Show data source
Purity
95% 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)
C5H5ClN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 725056 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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