3-Nitro-5-(trifluoromethyl)pyridin-2-ol

HCID 2775093

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Grundinformationen

CAS: 33252-64-1
Standard-SMILES: O=c1[nH]cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey: JYXKHKBZLLIWEV-UHFFFAOYSA-N
Summenformel: C6H3F3N2O3
Durchschnittliche Molmasse: 208,09 g/mol
Monoisotopische Masse: 208,00957662

Namen und Bezeichner

Bevorzugter Name: 3-Nitro-5-(trifluoromethyl)pyridin-2-ol
IUPAC: 3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
Englischer Name: 2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine
Summenformel: C6H3F3N2O3
Molmasse: 208.09

Namen und Synonyme

3-nitro-5-(trifluoromethyl)pyridin-2-ol3-Nitro-5-(trifluoromethyl)-2(1H)-pyridinoneRefChem:504444692-913-133252-64-12-HYDROXY-3-NITRO-5-(TRIFLUOROMETHYL)PYRIDINE3-nitro-5-(trifluoromethyl)pyridin-2(1H)-one1851650-55-93-nitro-5-(trifluoromethyl)-1H-pyridin-2-oneMFCD001531933-nitro-5-trifluoromethyl-pyridin-2-ol3-nitro-5-trifluoromethylpyridin-2-ol

Weitere Namen anzeigen

5-NITRO-3-(TRIFLUOROMETHYL)PYRIDIN-2-OLBUTTPARK 25\01-342-hydroxy-3-nitro-5-trifluoropyridine3-Nitro-5-(trifluoroMethyl)pyridin-2-o5-NITRO-3-(TRIFLUOROMETHYL-2-PYRIDONE)3-NITRO-5-(TRIFLUOROMETHYL)-2-PYRIDONE5-(trifluoromethyl)-3-nitropyridin-2-ol3-Nitro-5-(trifluoromethyl)-2-pyridinol

2-hydroxy-3-nitro-5-trifluoromethylpyridine3-NITRO-5-TRIFLUOROMETHYL-2-PYRIDINONEAB04090CS-0157385EN300-093813-nitro-5-(trifluoromethyl)hydropyridin-2-one3-Nitro-5-trifluoromethyl-1H-pyridin-2-one2(1H)-Pyridinone, 3-nitro-5-(trifluoromethyl)-

Datenbank-Bezeichner

CAS: 33252-64-1
PubChem CID: 2775093
DTXSID: DTXSID50379374
EC Number: 692-913-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 74,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 350

Physikochemische Eigenschaften

Schmelzpunkt: 189 °C · 189 °C
Siedepunkt: 276.2 · 276.2±40.0 °C(Predicted)
Dichte: 1.61 · 1.61±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 5.89 · 5.89±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Off-white
InChI: InChI=1S/C6H3F3N2O3/c7-6(8,9)3-1-4(11(13)14)5(12)10-2-3/h1-2H,(H,10,12)
InChIKey: JYXKHKBZLLIWEV-UHFFFAOYSA-N
SMILES: C1(=O)NC=C(C(F)(F)F)C=C1[N+]([O-])=O
CAS Datenbank: 33252 · 33252-64-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.