2-Chlor-6-methoxy-3-nitropyridin

2-Chloro-6-methoxy-3-nitropyridine

HCID 2795029

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Grundinformationen

CAS: 38533-61-8
Standard-SMILES: COc1ccc([N+](=O)[O-])c(Cl)n1
InChIKey: DVRGUTNVDGIKTP-UHFFFAOYSA-N
Summenformel: C6H5ClN2O3
Durchschnittliche Molmasse: 188,57 g/mol
Monoisotopische Masse: 187,9988697

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-methoxy-3-nitropyridine
IUPAC: 2-chloro-6-methoxy-3-nitropyridine
Lokaler Name: 2-Chlor-6-methoxy-3-nitropyridin
Englischer Name: 2-Chloro-6-methoxy-3-nitropyridine
Summenformel: C6H5ClN2O3
Molmasse: 188.57

Namen und Synonyme

2-Chloro-6-methoxy-3-nitropyridine38533-61-8pyridine, 2-chloro-6-methoxy-3-nitro-B2A2RC7BBLEINECS 253-989-86-METHOXY-3-NITRO-2-CHLOROPYRIDINEDTXSID60191862RefChem:469665DTXCID00114353253-989-82-chloro-3-nitro-6-methoxypyridineMFCD00130268

Weitere Namen anzeigen

oro-6-methoxy-3-nitropyridine2-Chlor-6-methoxy-3-nitropyridin2-CHLORO-3-NITRO-METHOXYPYRIDINE2-Choro-3-nitro-6-methoxypyridine-Chloro-6-methoxy-3-nitropyridine2-chloro-3-aMino-6-Methoxypyridine2-Chloro-6-methoxy-3-nitropyridine >

2-Chloro-6-methoxy-3-nitro-pyridine6-Methoxy-2-chloro-3-nitropyridine2-chloro-6-methoxy-3-nitro pyridineEN300-998692-chloro-6-(methyloxy)-3-nitropyridineUNII-B2A2RC7BBLSCHEMBL228399SCHEMBL19156270

Datenbank-Bezeichner

CAS: 38533-61-8
PubChem CID: 2795029
DTXSID: DTXSID60191862
UNII: B2A2RC7BBL
EC Number: 253-989-8
Nikkaji: J294.691B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 67,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Schmelzpunkt: 78 · 78-80 °C (lit.)
Siedepunkt: 298.5 · 298.5±35.0 °C(Predicted)
Dichte: 1.445 · 1.445±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Powder
pka: -2.34 · -2.34±0.10(Predicted)
Farbe: Off-white to yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C6H5ClN2O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3
InChIKey: DVRGUTNVDGIKTP-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(OC)=CC=C1[N+]([O-])=O
CAS Datenbank: 38533 · 38533-61-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 44 reports by companies from 7 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: 29333990
risk_code: 36/37/38-44-20/21/22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-37/39-36/37/39
hazard_class: 6.1
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden6-methoxy-3-nitropyridine-2-carbonitrile was synthesised from 2-Chloro-6-methoxy-3-nitropyridine. Reatant in the suzuki and negishi couplings reaction. Also as fine chemical intermediate.