5-Hydroxypyridine-2-carbonitrile

HCID 21413773

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Grundinformationen

CAS: 86869-14-9
Standard-SMILES: N#Cc1ccc(O)cn1
InChIKey: YUEKWNYGXNDQRO-UHFFFAOYSA-N
Summenformel: C6H4N2O
Durchschnittliche Molmasse: 120,11 g/mol
Monoisotopische Masse: 120,03236276

Namen und Bezeichner

Bevorzugter Name: 5-Hydroxypyridine-2-carbonitrile
IUPAC: 5-hydroxypyridine-2-carbonitrile
Englischer Name: 2-Cyano-5-hydroxypyridine
Summenformel: C6H4N2O
Molmasse: 120.11

Namen und Synonyme

86869-14-95-Hydroxypyridine-2-carbonitrileDTXSID60613397RefChem:303478DTXCID00564152640-937-82-cyano-5-hydroxypyridine5-HydroxypicolinonitrileMFCD073681972-Pyridinecarbonitrile, 5-hydroxy-2-cyano-5-pyridinol6-Cyano-3-pyridinol

Weitere Namen anzeigen

5-Hydroxy-2-pyridinecarbonitrile5-Hydroxy-pyridin-2-carbonitrile5-hydroxypicolinonitrile, 98%min5-Hydroxypyridine-2-carbonitrile 98%2-Cyano-5-hydroxypyridine ISO 9001：2015 REACH5-Hydroxypicolinonitrile, 2-Cyano-5-hydroxypyridine, 6-Cyanopyridin-3-ol

5-hydroxy-2-cyanopyridine2-cyano-5-hydroxy pyridineSCHEMBL3122645-hydSCHEMBL4557065-hydroxypyridin-2-carbonitrileSCHEMBL30457749YUEKWNYGXNDQRO-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 86869-14-9
PubChem CID: 21413773
DTXSID: DTXSID60613397
EC Number: 640-937-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 56,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Siedepunkt: 429.2 · 429.2±30.0 °C(Predicted)
Dichte: 1.33 · 1.33
Flammpunkt: 213 ℃ · 213℃
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
pka: 3.23 · 3.23±0.18(Predicted)
Farbe: Beige
InChI: InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)4-8-5/h1-2,4,9H
InChIKey: YUEKWNYGXNDQRO-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(O)C=C1
CAS Datenbank: 86869 · 86869-14-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.；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.