2-Hydroxy-6-methyl-5-nitropyridine

HCID 543053CAS 28489-45-4

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Grundinformationen

Standard-SMILES: Cc1[nH]c(=O)ccc1[N+](=O)[O-]
InChIKey: AJDDHNXZBGZBJN-UHFFFAOYSA-N
Summenformel: C6H6N2O3
Durchschnittliche Molmasse: 154,12 g/mol
Monoisotopische Masse: 154,03784206

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-6-methyl-5-nitropyridine
IUPAC: 6-methyl-5-nitro-1H-pyridin-2-one
Englischer Name: 2-Hydroxy-6-methyl-5-nitropyridine
Summenformel: C6H6N2O3
Molmasse: 154.12

Namen und Synonyme

2-Hydroxy-6-methyl-5-nitropyridineRefChem:473317640-489-328489-45-46-Methyl-5-nitropyridin-2-ol6-Hydroxy-3-nitro-2-picoline6-Hydroxy-2-methyl-3-nitropyridine6-methyl-5-nitro-1H-pyridin-2-one2(1H)-Pyridinone, 6-methyl-5-nitro-MFCD000920106-Methyl-5-nitropyridin-2(1H)-one6-methyl-5-nitro-pyridin-2-ol

Weitere Namen anzeigen

2-Hydroxy-6-methyL6-Methyl-5-nitro-2-pyridone6-METHYL-5-NITRO-2-PYRIDINOL2-Hydorxy-5-Nitro-6-Picoline2-HYDROXY-5-NITRO-6-PICOLINEand6-HYDROXY-3-NITRO-2-PICOLINE6-Hydroxy-3-nitro-2-picoline,98%

6-Methyl-5-nitro-2(1h)-pyridinoneSCHEMBL952538STL365542AKOS000417362AC-5402GS-3407EN300-854016-methyl-5-nitro-1,2-dihydropyridin-2-one

Datenbank-Bezeichner

CAS: 28489-45-4
PubChem CID: 543053
DTXSID: DTXSID00337484
EC Number: 640-489-3
Nikkaji: J2.649.749C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 74,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 272

Physikochemische Eigenschaften

Schmelzpunkt: 230 · 230-232 °C
Siedepunkt: 277.46 °C · 277.46°C (rough estimate)
Dichte: 1.4564 · 1.4564 (rough estimate)
Brechungsindex: 1.51 · 1.5100 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Dimethylformamide
pka: 8.16 · 8.16±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Light brown to brown
InChI: InChI=1S/C6H6N2O3/c1-4-5(8(10)11)2-3-6(9)7-4/h2-3H,1H3,(H,7,9)
InChIKey: AJDDHNXZBGZBJN-UHFFFAOYSA-N
SMILES: C1(=O)NC(C)=C([N+]([O-])=O)C=C1
CAS Datenbank: 28489 · 28489-45-4(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 (17.1%): 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 35 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (17.1%)

Sicherheitsdaten

hs_code: 29333990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 37/39-26

Chemie und Industrie

Anwendungen

Verwenden2-Hydroxy-6-methyl-5-nitropyridine is a versatile building block that can be used to create a range of compounds, such as 3-Amino-2-methylpyridine, 6-Chloro-2-methyl-3-nitropyridine, etc.