2-Hydroxy-6-methyl-3-nitropyridine

HCID 543029CAS 39745-39-6

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Grundinformationen

Standard-SMILES: Cc1ccc([N+](=O)[O-])c(=O)[nH]1
InChIKey: YVYDGIGILRUPED-UHFFFAOYSA-N
Summenformel: C6H6N2O3
Durchschnittliche Molmasse: 154,12 g/mol
Monoisotopische Masse: 154,03784205

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-6-methyl-3-nitropyridine
IUPAC: 6-methyl-3-nitro-1H-pyridin-2-one
Englischer Name: 6-Hydroxy-5-nitro-2-picoline
Summenformel: C6H6N2O3
Molmasse: 154.12

Namen und Synonyme

39745-39-62-Hydroxy-6-methyl-3-nitropyridineDTXSID90337478RefChem:87462DTXCID80288566625-238-8YVYDGIGILRUPED-UHFFFAOYSA-N6-methyl-3-nitropyridin-2-ol6-Hydroxy-5-nitro-2-picoline6-methyl-3-nitro-1H-pyridin-2-one2-hydroxy-3-nitro-6-methylpyridine6-methyl-3-nitro-2(1h)-pyridinone

Weitere Namen anzeigen

3-NITRO-6-METHYLPYRIDIN-2-OL6-Methyl-3-nitro-2-pyridinol6-METHYL-3-NITRO-PYRIDIN-2-OLHYDROXY-6-METHYL-3-NITROPYRIDINE6-Hydroxy-5-nitro-2-picoline,99%

MFCD030014142-Hydroxy-3-nitro-6-picoline6-methyl-3-nitro-1,2-dihydropyridin-2-one6-methyl-3-nitropyridin-2(1h)-one6-Methyl-3-nitro-2-pyridinol #AC-23066SY011619N11927

Datenbank-Bezeichner

CAS: 39745-39-6
PubChem CID: 543029
DTXSID: DTXSID90337478
EC Number: 625-238-8
Nikkaji: J1.584.475B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
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: 225 · 225-226 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
Aggregatzustand: powder to crystal
pka: 8.47 · 8.47±0.10(Predicted)
Farbe: Light yellow to Brown to Dark green
InChI: 1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3H,1H3,(H,7,9)
InChIKey: YVYDGIGILRUPED-UHFFFAOYSA-N
SMILES: Cc1ccc(c(O)n1)[N+]([O-])=O
CAS Datenbank: 39745 · 39745-39-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.