Grundinformationen
- CAS
932-35-4- Standard-SMILES
N#Cc1ncccc1O- InChIKey
XTVFTOVNAKNVQK-UHFFFAOYSA-N- Summenformel
- C6H4N2O
- Durchschnittliche Molmasse
- 120,11 g/mol
- Monoisotopische Masse
- 120,03236276
Namen und Bezeichner
- Bevorzugter Name
- 3-Hydroxypyridine-2-carbonitrile
- IUPAC
- 3-hydroxypyridine-2-carbonitrile
- Lokaler Name
- 3-Hydroxypyridin-2-carbonitril
- Englischer Name
- 2-Cyano-3-hydroxypyridine
- Summenformel
- C6H4N2O
- Molmasse
- 120.11
Namen und Synonyme
932-35-43-Hydroxypyridine-2-carbonitrileEINECS 213-251-8DTXSID10239324RefChem:502599DTXCID30161815213-251-82-Cyano-3-hydroxypyridine3-HydroxypicolinonitrileMFCD016461352-Cyano-3-hydroxy pyridine2-Pyridinecarbonitrile, 3-hydroxy-
Weitere Namen anzeigen
3-hydroxy-2-cyanopyridine3-hydroxy-2-cyanopy2-Cyano-pyridin-3-ol2-Cyano-3-hydroxpyridine2-Cyano-3-hydroxypyridine >3-hydroxypyridin-2-carbonitril3-HYDROXY-PYRIDINE-2-CARBONITRILE
2-cyano-3-pyridinolHydroxycyanazin3-Hydroxy-2-pyridinecarbonitrile2-Cyano-3-pyridinol; 3-Hydroxy-2-cyanopyridine; 3-Hydroxypicolinonitrile; 3-Hydroxy-2-pyridinecarbonitrile; 3-Hydroxy-(7CI,8CI)picolinonitrile;SCHEMBL304561SCHEMBL323572SCHEMBL1818591XTVFTOVNAKNVQK-UHFFFAOYSA-
Datenbank-Bezeichner
- CAS
932-35-4- PubChem CID
- 101920
- DTXSID
DTXSID10239324- EC Number
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 56,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 137
Physikochemische Eigenschaften
- Schmelzpunkt
- 211 · 211-212 °C (decomp)
- Siedepunkt
- 429.2 · 429.2±30.0 °C(Predicted)
- Dichte
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- DMSO (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 2.58 · 2.58±0.10(Predicted)
- Farbe
- Yellow to Dark Yellow
- InChI
- InChI=1S/C6H4N2O/c7-4-5-6(9)2-1-3-8-5/h1-3,9H
- InChIKey
- XTVFTOVNAKNVQK-UHFFFAOYSA-N
- SMILES
- C1(C#N)=NC=CC=C1O
- CAS Datenbank
- 932 · 932-35-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (66.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (66.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (66.7%)；Acute Tox. 3 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 3 (66.7%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- ridadr
- 3439
- hs_code
- 2933399990
- risk_code
- 20/21/22-36/37/38-41-37/38-22
Chemie und Industrie
Anwendungen
Verwenden2-Cyano-3-hydroxypyridine can be used as eIF4A inhibitors.
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