2-Methoxy-4-methyl-5-nitropyridine

HCID 243169CAS 6635-90-1

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Grundinformationen

Standard-SMILES: COc1cc(C)c([N+](=O)[O-])cn1
InChIKey: DJNQRLCFAHKFLZ-UHFFFAOYSA-N
Summenformel: C7H8N2O3
Durchschnittliche Molmasse: 168,15 g/mol
Monoisotopische Masse: 168,05349212

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-4-methyl-5-nitropyridine
IUPAC: 2-methoxy-4-methyl-5-nitropyridine
Englischer Name: 2-METHOXY-5-NITRO-4-PICOLINE
Summenformel: C7H8N2O3
Molmasse: 168.15

Namen und Synonyme

2-methoxy-4-methyl-5-nitropyridineDTXSID00287773RefChem:474392DTXCID80238920687-286-66635-90-12-Methoxy-5-nitro-4-picoline2-methoxy-4-methyl-5-nitro-pyridinePyridine, 2-methoxy-4-methyl-5-nitro-MFCD03095075NSC52457SCHEMBL1559236

Weitere Namen anzeigen

6-methoxy-3-methyl-2-nitropyridine2-METHOXY-5-NITRO-4-ICOLINE2-Methoxy-5-nitro-4-picolin2-Metho×y-5-nitro-4-picoline2-Methoxy-5-nitro-4-methylprydine2-Methoxy-5-nitro-4-picoline ,99%2-Metoxy-4-Methyl-5-Nitropyridine

NSC-524572-Methoxy-4-methyl-5-nitropyridine, 97%NSC 52457BCP221582-METHOXY-5-NITRO-4-METHYLPYRIDINEA8952CS-W00301SBB065559

Datenbank-Bezeichner

CAS: 6635-90-1
PubChem CID: 243169
DTXSID: DTXSID00287773
EC Number: 687-286-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 67,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 79 to · 79.0 to 83.0 °C
Siedepunkt: 280.3 · 280.3±35.0 °C(Predicted)
Dichte: 1.247 · 1.247±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 0.02 · 0.02±0.18(Predicted)
Aggregatzustand: Solid
Farbe: Pale Yellow to Pale Beige
Wasserlöslichkeit: Slightly soluble in water.
InChI: 1S/C7H8N2O3/c1-5-3-7(12-2)8-4-6(5)9(10)11/h3-4H,1-2H3
InChIKey: DJNQRLCFAHKFLZ-UHFFFAOYSA-N
SMILES: COc1cc(C)c(cn1)[N+]([O-])=O
CAS Datenbank: 6635 · 6635-90-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-37/39-39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Methoxy-4-methyl-5-nitropyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.