2-Methoxy-3-nitropyridine

HCID 253219CAS 20265-35-4

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Grundinformationen

Standard-SMILES: COc1ncccc1[N+](=O)[O-]
InChIKey: WZNQCVOSOCGWJG-UHFFFAOYSA-N
Summenformel: C6H6N2O3
Durchschnittliche Molmasse: 154,12 g/mol
Monoisotopische Masse: 154,03784205

Namen und Bezeichner

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

Namen und Synonyme

2-Methoxy-3-nitropyridineDTXSID90942384RefChem:87817DTXCID001370787654-159-1WZNQCVOSOCGWJG-UHFFFAOYSA-N20265-35-42-methoxy-3-nitro-pyridineMFCD00023459NSC75835Maybridge1_008636CCG-51466

Weitere Namen anzeigen

3-Nitro-2-methoxypyridine2-Methoxy-3-nitropyridine>METHYL 3-NITRO-2-PYRIDINYL ETHER2-Methoxy-3-nitropyridine ISO 9001：2015 REACH

NSC-75835CS-W018056AC-5399DS-1340SB52485SY032655Pyridine, 2-methoxy-3-nitro-METHYL 3-NITRO-2-PYRIDINYL ETHER

Datenbank-Bezeichner

CAS: 20265-35-4
PubChem CID: 253219
DTXSID: DTXSID90942384
EC Number: 654-159-1
Nikkaji: J497.462J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Schmelzpunkt: 53 · 53-55°C
Siedepunkt: 247.9 · 247.9±20.0 °C(Predicted)
Dichte: 1.3 · 1.300±0.06 g/cm3(Predicted)
Flammpunkt: 110 ℃ · >110℃
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 0 · -0+-.0.10(Predicted)
Farbe: White to Amber
BRN: 138199 · 138199
InChI: InChI=1S/C6H6N2O3/c1-11-6-5(8(9)10)3-2-4-7-6/h2-4H,1H3
InChIKey: WZNQCVOSOCGWJG-UHFFFAOYSA-N
SMILES: C1(OC)=NC=CC=C1[N+]([O-])=O
CAS Datenbank: 20265 · 20265-35-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (88.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (88.4%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-22-41-37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39-22-36-39
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-3-nitropyridine is a pyridine compound used as a reagent in chemical reactions or as an intermediate component in organic synthesis. It can be reduced to amines and then converted to N-substituted derivatives.