2,6-Dichlor-3-nitropyridin

2,6-Dichloro-3-nitropyridine

HCID 85239CAS 16013-85-7

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(Cl)nc1Cl
InChIKey: SHCWQWRTKPNTEM-UHFFFAOYSA-N
Summenformel: C5H2Cl2N2O2
Durchschnittliche Molmasse: 192,98 g/mol
Monoisotopische Masse: 191,94933266

Namen und Bezeichner

Bevorzugter Name: 2,6-Dichloro-3-nitropyridine
IUPAC: 2,6-dichloro-3-nitropyridine
Lokaler Name: 2,6-Dichlor-3-nitropyridin
Englischer Name: 2,6-Dichloro-3-nitropyridine
Summenformel: C5H2Cl2N2O2
Molmasse: 192.99

Namen und Synonyme

2,6-Dichloro-3-nitropyridine16013-85-7DTXSID10166803EINECS 240-151-1RefChem:445384DTXCID8089294240-151-1Pyridine, 2,6-dichloro-3-nitro-2,6-dichloro-3-nitro-pyridineMFCD000062343-Nitro-2,6-dichloropyridineKH7F529L8W

Weitere Namen anzeigen

6-Dichloro-3-nitropyridine26DC3NPTIMTEC-BB SBB0036142,6-Dichloro-3-nitroDichloro-3-nitropyrid2,6-Dichloro-3-nitropyrid...

DICHLORONITROPYRIDINE2,6-Dichloro-3-nitropyridine tech.AC-27682,6-Dichloro-3-nitropyridine, technical grade, 92%Flupirtine Impurity HCholest-4-ene, 3-chloro-, (3|A)-2,6-dichloronitropyridineFT-0651285

Datenbank-Bezeichner

CAS: 16013-85-7
PubChem CID: 85239
DTXSID: DTXSID10166803
UNII: KH7F529L8W
EC Number: 240-151-1
Nikkaji: J219.937H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 161

Experimentelle und physikochemische Eigenschaften

LogP1.96

Physikochemische Eigenschaften

Schmelzpunkt: 55 · 55-60 °C(lit.)
Siedepunkt: 295.5 · 295.5±35.0 °C(Predicted)
Dichte: 1.6791 · 1.6791 (rough estimate)
Brechungsindex: 1.61 · 1.6100 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: Liquid
pka: -5.76 · -5.76±0.10(Predicted)
Farbe: Clear colorless to light yellow
BRN: 1619741 · 1619741
InChI: InChI=1S/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKey: SHCWQWRTKPNTEM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC=C1[N+]([O-])=O
CAS Datenbank: 16013 · 16013-85-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (95.8%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-42/43-43
hazard_code: Xn,Xi
safety_code: 22-26-36/37-37/39-24-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,6-Dichloro-3-nitropyridine was used:in the synthesis of pyridyldifluoroacetatesas starting reagent in the preparation of bicyclooxacalixhetarene

Verwenden2,6-Dichloro-3-nitropyridine is a starting compound for the synthesis of a sulfide analog of Flupirtine with KV7.2/3 channel opening activity. 2,6-Dichloro-3-nitropyridine can be used in pain research.