CAS 152803-24-2 5-Hydroxypyridine-3-carbonitrile (HCID 15342142)

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Grundinformationen

CAS: 152803-24-2
Standard-SMILES: N#Cc1cncc(O)c1
InChIKey: KAXIYYPIORYZLB-UHFFFAOYSA-N
Summenformel: C6H4N2O
Durchschnittliche Molmasse: 120,11 g/mol
Monoisotopische Masse: 120,03236276

Namen und Bezeichner

Bevorzugter Name: 5-Hydroxypyridine-3-carbonitrile
IUPAC: 5-hydroxypyridine-3-carbonitrile
Englischer Name: 3-Pyridinecarbonitrile,5-hydroxy-(9CI)
Summenformel: C6H4N2O
Molmasse: 120.11

Namen und Synonyme

152803-24-25-hydroxypyridine-3-carbonitrileDTXSID70571757RefChem:536265DTXCID90522529689-290-33-cyano-5-hydroxypyridine5-hydroxynicotinonitrileMFCD110443073-Pyridinecarbonitrile,5-hydroxy-(9CI)5-HYDROXY-3-PYRIDINECARBONITRILE3-Pyridinecarbonitrile, 5-hydroxy-

Weitere Namen anzeigen

5-isocyano-pyridin-3-ol5-Cyano-3-Hydroxypyridine3-Hydroxy-5-Cyanopyridine3-Cyano-5-hydroxypyridine,97%5-Hydroxynicotinonitrile 97%3-Pyridinecarbonitrile,5-hydroxy-(9cl)

3-PYRIDINECARBONITRILE,5-HYDROXY5-Hydroxy-nicotinonitrileSCHEMBL875703SCHEMBL2646130SCHEMBL29413231KAXIYYPIORYZLB-UHFFFAOYSA-KAXIYYPIORYZLB-UHFFFAOYSA-N3-Cyano-5-hydroxypyridine, 97%

Datenbank-Bezeichner

CAS: 152803-24-2
PubChem CID: 15342142
DTXSID: DTXSID70571757
EC Number: 689-290-3
Nikkaji: J847.263G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
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

Schmelzpunkt: 213 · 213-217℃
Siedepunkt: 394.7 · 394.7±27.0 °C(Predicted)
Dichte: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 7.96 · 7.96±0.10(Predicted)
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C6H4N2O/c7-2-5-1-6(9)4-8-3-5/h1,3-4,9H
InChIKey: KAXIYYPIORYZLB-UHFFFAOYSA-N
SMILES: C1=NC=C(O)C=C1C#N
CAS Datenbank: 152803 · 152803-24-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P316, 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 6 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. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)；STOT SE 3 (100%)