2-Hydroxy-6-(trifluoromethyl)nicotinamide

HCID 2775114

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Grundinformationen

CAS: 116548-03-9
Standard-SMILES: NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIKey: BZMWJLRKOIRLSU-UHFFFAOYSA-N
Summenformel: C7H5F3N2O2
Durchschnittliche Molmasse: 206,12 g/mol
Monoisotopische Masse: 206,03031189

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-6-(trifluoromethyl)nicotinamide
IUPAC: 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
Englischer Name: 2-Hydroxy-6-(trifluoromethyl)nicotinamide
Summenformel: C7H5F3N2O2
Molmasse: 206.12

Namen und Synonyme

2-Hydroxy-6-(trifluoromethyl)nicotinamide116548-03-9DTXSID70379391RefChem:473306DTXCID20330417671-166-52-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide2-hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamideMFCD002437293-Pyridinecarboxamide, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-SCHEMBL844968

Weitere Namen anzeigen

BUTTPARK 147\16-482-Hydroxy-6-(Trifluoromethyl Nnicotinamide

HMS1431I13CCG-236439AC-2451IDI1_011576CS-0082220Maybridge3_000189FT-0642841Bionet2_000945

Datenbank-Bezeichner

CAS: 116548-03-9
PubChem CID: 2775114
DTXSID: DTXSID70379391
EC Number: 671-166-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 72,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 354

Physikochemische Eigenschaften

Schmelzpunkt: 220 °C · 220 °C
Siedepunkt: 396.2 · 396.2±42.0 °C(Predicted)
Dichte: 1.549 · 1.549±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 6.37 · 6.37±0.10(Predicted)
CAS Datenbank: 116548 · 116548-03-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 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.