Grundinformationen
- Standard-SMILES
O=c1ccc([N+](=O)[O-])c[nH]1- InChIKey
XKWSQIMYNVLGBO-UHFFFAOYSA-N- Summenformel
- C5H4N2O3
- Durchschnittliche Molmasse
- 140,1 g/mol
- Monoisotopische Masse
- 140,02219199
Namen und Bezeichner
- Bevorzugter Name
- 5-Nitropyridin-2-ol
- IUPAC
- 5-nitro-1H-pyridin-2-one
- Lokaler Name
- 5-Nitropyridin-2-ol
- Englischer Name
- 2-Hydroxy-5-nitropyridine
- Summenformel
- C5H4N2O3
- Molmasse
- 140.1
Namen und Synonyme
2-Hydroxy-5-nitropyridine5418-51-95-Nitropyridin-2-ol2(1H)-Pyridinone, 5-nitro-5-Nitro-2(1H)-pyridinone5-Nitro-2-pyridoneH3L3D7HP425-Nitro-2(1H)-pyridoneDTXSID00202527NSC-94542-Pyridinol, 5-nitro-EINECS 226-525-7
Weitere Namen anzeigen
5-nitropyridin-2(1H)-one5-Nitro-2-pyridol5-NITRO-2-PYRIDINOL5-Nirto-2-pyridinolTIMTEC-BB SBB0041675-Nitro-2-pyridinoneHydroxy-5-nitropyrid5-(NITRO)PYRIDIN-2-OL
NSC-10478AI3-19235NSC 9454NSC 10478RefChem:103274DTXCID30125018226-525-7InChI=1/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8
Datenbank-Bezeichner
- CAS
5418-51-9- PubChem CID
- 79453
- DTXSID
DTXSID00202527- UNII
- H3L3D7HP42
- EC Number
- 226-525-7
- Nikkaji
- J214C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 74,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 236
Physikochemische Eigenschaften
- Schmelzpunkt
- 188 · 188-191 °C (lit.)
- Siedepunkt
- 256.56 °C · 256.56°C (rough estimate)
- Dichte
- 1.5657 · 1.5657 (rough estimate)
- Brechungsindex
- 1.48 · 1.4800 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Very Slightly)
- Aggregatzustand
- Crystalline Powder
- pka
- 8.06 · 8.06±0.10(Predicted)
- Farbe
- Light yellow to beige
- Wasserlöslichkeit
- Soluble in hot water and alkali liquor, Insoluble in most of organic solvents.
- BRN
- 120352 · 120352
- InChI
- InChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8)
- InChIKey
- XKWSQIMYNVLGBO-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=C([N+]([O-])=O)C=C1
- CAS Datenbank
- 5418 · 5418-51-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Hydroxy-5-nitropyridine(5418-51-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information2(1H)-Pyridinone, 5-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenA comparison of catalysts promotes imidazolide couplings including the identification of 2-hydroxy-5-nitropyridine as a new, safe, and effective catalyst.
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