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45644-21-1 molecular structure
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6-chloropyridin-2-amine

ChemBase ID: 21378
Molecular Formular: C5H5ClN2
Molecular Mass: 128.5596
Monoisotopic Mass: 128.01412585
SMILES and InChIs

SMILES:
c1c(nc(cc1)Cl)N
Canonical SMILES:
Nc1cccc(n1)Cl
InChI:
InChI=1S/C5H5ClN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
InChIKey:
OBYJTLDIQBWBHM-UHFFFAOYSA-N

Cite this record

CBID:21378 http://www.chembase.cn/molecule-21378.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloropyridin-2-amine
IUPAC Traditional name
6-chloropyridin-2-amine
Synonyms
6-Chloro-2-pyridinamine
2-Amino-6-chloropyridine
6-chloropyridin-2-amine
2-Amino-6-chloropyridine
2-Amino-6-chloropyridine
6-Chloropyridin-2-amine
6-Chloro-pyridin-2-ylamine
6-氯-2-吡啶胺
2-氨基-6-氯吡啶
CAS Number
45644-21-1
EC Number
000-000-0
MDL Number
MFCD00234068
Beilstein Number
108669
PubChem SID
160984685
PubChem CID
206246

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3442286  LogD (pH = 7.4) 1.345313 
Log P 1.3453268  Molar Refractivity 34.7811 cm3
Polarizability 12.518738 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
69-72°C expand Show data source
69-73 °C expand Show data source
69-73°C expand Show data source
70-72°C expand Show data source
Hydrophobicity(logP)
1.154 expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
RTECS
US1813350 expand Show data source
European Hazard Symbols
X expand Show data source
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
20/21/22-36/37/38 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
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
H302-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
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H5ClN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 675865 external link
Application
Substrate used in a Ni(II)-catalyzed homo-coupling providing diamino-2,2′-bipyridine.1
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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