3-Methoxy-2-nitropyridine

HCID 556063CAS 20265-37-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1cccnc1[N+](=O)[O-]
InChIKey: LSXHCFSGOBFNDX-UHFFFAOYSA-N
Summenformel: C6H6N2O3
Durchschnittliche Molmasse: 154,12 g/mol
Monoisotopische Masse: 154,03784206

Namen und Bezeichner

Bevorzugter Name: 3-Methoxy-2-nitropyridine
IUPAC: 3-methoxy-2-nitropyridine
Englischer Name: 3-Methoxy-2-nitropyridine
Summenformel: C6H6N2O3
Molmasse: 154.12

Namen und Synonyme

3-Methoxy-2-nitropyridine20265-37-6DTXSID70339415RefChem:503080DTXCID70290496606-480-32-Nitro-3-methoxypyridine3-methoxy-2-nitro-pyridineMFCD002222763-methoxy-2-nitropyridinPYRIDINE, 3-METHOXY-2-NITRO-2-Nitro-2-methoxypyridine

Weitere Namen anzeigen

3M2NPmethoxynitropyridineMethoxy-2-nitropyridMethoxy-2-nitropyridine3-METHOXYL-2-NITROPYRIDINE3-Methoxy-2-nitropyridine>Pyridine, 3-methoxy-2-nitro-3-Methoxy-2-nitropyridine 99%

SCHEMBL84373-Methoxy-2-nitropyridine #3-(methyloxy)-2-nitropyridineSCHEMBL8789338SCHEMBL252880453-Methoxy-2-nitropyridine, 98%BBL009976SBB055722

Datenbank-Bezeichner

CAS: 20265-37-6
PubChem CID: 556063
DTXSID: DTXSID70339415
EC Number: 606-480-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 67,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 145

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-76 °C (lit.)
Siedepunkt: 311.8 · 311.8±22.0 °C(Predicted)
Dichte: 1.3 · 1.300±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: -6.34 · -6.34±0.10(Predicted)
Farbe: White to Yellow to Green
InChI: InChI=1S/C6H6N2O3/c1-11-5-3-2-4-7-6(5)8(9)10/h2-4H,1H3
InChIKey: QRCUQLANPHYVEH-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=NC=CC=C1OC
CAS Datenbank: 20265 · 20265-37-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.