4-Methoxypyridin-N-oxid

4-Methoxypyridine N-oxide

HCID 70743

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Grundinformationen

CAS: 1122-96-9
Standard-SMILES: COc1cc[n+]([O-])cc1
InChIKey: BOFAIBPJCWFJFT-UHFFFAOYSA-N
Summenformel: C6H7NO2
Durchschnittliche Molmasse: 125,13 g/mol
Monoisotopische Masse: 125,04767847

Namen und Bezeichner

Bevorzugter Name: 4-Methoxypyridine N-oxide
IUPAC: 4-methoxy-1-oxidopyridin-1-ium
Lokaler Name: 4-Methoxypyridin-N-oxid
Englischer Name: 4-Methoxypyridine N-oxide
Summenformel: C6H7NO2
Molmasse: 125.13

Namen und Synonyme

4-Methoxypyridine N-oxide1122-96-9DTXSID30149956EINECS 214-367-1RefChem:99674DTXCID4072447NSC 27964214-367-14-Methoxypyridine 1-oxide4-Methoxypyridine-N-oxide4-methoxy-1-oxidopyridin-1-iumPyridine, 4-methoxy-, 1-oxide

Weitere Namen anzeigen

AKOS 93569NSC 27964 Hydratep-methoxypyridine n-oxide4-Methoxylpyridine-N-OxidePyridine,4-methoxy-,1-oxide4-MethoxypyridineN-Oxide>4-Methoxypyridine N-oxide,984-METHOXYPYRIDINE-N-OXIDE 95%

4-MethoxypyridineN-oxideMFCD000062074-METHOXYPYRIDIN-1-IUM-1-OLATE4-methoxypiridine-N-oxide4-methoxypyridine--N-oxideNSC-27964AB00619AC-4673

Datenbank-Bezeichner

CAS: 1122-96-9
PubChem CID: 70743
DTXSID: DTXSID30149956
UNII: UMB9SBP2LF
EC Number: 214-367-1
Nikkaji: J182.502J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 34,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 79

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-79 °C
Siedepunkt: 308.9 · 308.9±15.0 °C(Predicted)
Dichte: 1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 2.3 · 2.30±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Yellow to Orange
BRN: 115212 · 115212
InChI: InChI=1S/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey: BOFAIBPJCWFJFT-UHFFFAOYSA-N
SMILES: C1[N+]([O-])=CC=C(OC)C=1
CAS Datenbank: 1122 · 1122-96-9(CAS DataBase Reference)
NIST chemische Informationen: 4 · Pyridine, 4-methoxy-1-oxide-(1122-96-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 7 reports by companies from 4 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (14.3%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (14.3%)；STOT SE 3 (85.7%)

Sicherheitsdaten

F: 3-10
wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25-37

Chemie und Industrie

Anwendungen

Verwenden4-Methoxypyridine N-oxide is a heteroaromatic N-oxide used as a nucleophilic catalyst in oligonucleotide synthesis and free radical polymerization.