4-Methoxypyridin-N-oxid

AKOS 93569 · NSC 27964 Hydrate · 4-Methoxypyridine 1-oxide · p-methoxypyridine n-oxide · 4-METHOXYPYRIDINE N-OXIDE · 4-Methoxylpyridine-N-Oxide · Pyridine,4-methoxy-,1-oxide · 4-MethoxypyridineN-Oxide>4-Methoxypyridine N-oxide,98

https://huagongshe.com/de/chemical/70743

Molekülstruktur von 4-Methoxypyridin-N-oxid

Identifikatoren & physikalische Daten

CAS No.	1122-96-9
Summenformel	C6H7NO2
Durchschnittliche Molmasse	125,13 g/mol
Monoisotopische Masse	125,04767847 g/mol
SMILES	COc1cc[n+]([O-])cc1
InChIKey	BOFAIBPJCWFJFT-UHFFFAOYSA-N
PubChem CID	70743
EC No.	214-367-1
DTXSID	DTXSID30149956
Lokaler Name	4-Methoxypyridin-N-oxid

Chemische & physikalische Eigenschaften

XLogP	-0,7
Polarare Oberfläche (TPSA)	34,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	79
Schmelzpunkt	73-79 °C
Siedepunkt	308.9±15.0 °C(Predicted)
Dichte	1.09±0.1 g/cm3(Predicted)
Lagerbedingungen	Inert atmosphere,Room Temperature
pKa (Säurekonstante)	2.30±0.10(Predicted)
Aggregatzustand	powder to crystal
Farbe	White to Yellow to Orange
BRN	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	1122-96-9(CAS DataBase Reference)
NIST chemische Informationen	Pyridine, 4-methoxy-1-oxide-(1122-96-9)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute 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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (14.3%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (85.7%)
F	3-10
Wassergefährdungsklasse (WGK)	3
Zollcode	29333990
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39-24/25-37

Anwendungen & Verwendung

Verwenden

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