Grundinformationen
- Standard-SMILES
Nc1ccc(Cl)nc1- InChIKey
QAJYCQZQLVENRZ-UHFFFAOYSA-N- Summenformel
- C5H5ClN2
- Durchschnittliche Molmasse
- 128,56 g/mol
- Monoisotopische Masse
- 128,01412584
Überblick
3-Amino-6-chloropyridine is an aminopyridine.
Namen und Bezeichner
- Bevorzugter Name
- 5-Amino-2-chloropyridine
- IUPAC
- 6-chloropyridin-3-amine
- Lokaler Name
- 5-Amino-2-chlorpyridin
- Englischer Name
- 5-Amino-2-chloropyridine
- Summenformel
- C5H5ClN2
- Molmasse
- 128.56
Namen und Synonyme
5-Amino-2-chloropyridine5350-93-6NSC 81DTXSID40201716EINECS 226-322-3RefChem:532170DTXCID70124207226-322-36-chloropyridin-3-amine2-Chloro-5-aminopyridine3-Amino-6-chloropyridine3-Pyridinamine, 6-chloro-
Weitere Namen anzeigen
AMINO CHLOROPYRIDINETobrasix5-Amino-2-chLTIMTEC-BB SBB0042345-Amino-2-chlorpyridin2-Chloro-5-pyridinamine
MFCD000062436-Chloro-3-pyridinamine6-Chloro-pyridin-3-ylamine6-chloro-3-pyridylamine5-amino-2-chloro pyridineUNII-386QR22KDZ386QR22KDZNSC-81
Datenbank-Bezeichner
- CAS
5350-93-6- PubChem CID
- 79305
- DTXSID
DTXSID40201716- ChEBI
CHEBI:194601- UNII
- 386QR22KDZ
- EC Number
- 226-322-3
- Nikkaji
- J81.013D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 38,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 76,8
Physikochemische Eigenschaften
- Schmelzpunkt
- 81 · 81-83 °C(lit.)
- Siedepunkt
- 205.39 °C · 205.39°C (rough estimate)
- Dichte
- 1.2417 · 1.2417 (rough estimate)
- Brechungsindex
- 1.511 · 1.5110 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- powder to crystal
- pka
- 1.94 · 1.94±0.10(Predicted)
- Farbe
- White to Brown
- BRN
- 108891 · 108891
- InChI
- InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
- InChIKey
- QAJYCQZQLVENRZ-UHFFFAOYSA-N
- SMILES
- C1=NC(Cl)=CC=C1N
- CAS Datenbank
- 5350 · 5350-93-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333999
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden5-Amino-2-chloropyridine was used in the synthesis of [2H5]2-amino-l-methyl-6-phenylimidazo[4,5-b]pyridine. It was used in identification and evaluation of molecularly imprinted polymers for the selective removal of potentially genotoxic aminopyridine impurities from pharmaceuticals.
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