Pyrimidin-5-ol

HCID 565855CAS 26456-59-7

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Grundinformationen

Standard-SMILES: Oc1cncnc1
InChIKey: LTXJLQINBYSQFU-UHFFFAOYSA-N
Summenformel: C4H4N2O
Durchschnittliche Molmasse: 96,09 g/mol
Monoisotopische Masse: 96,03236276

Namen und Bezeichner

Bevorzugter Name: Pyrimidin-5-ol
IUPAC: pyrimidin-5-ol
Englischer Name: 5-Hydroxypyrimidine
Summenformel: C4H4N2O
Molmasse: 96.09

Namen und Synonyme

pyrimidin-5-ol26456-59-75-PyrimidinolDTXSID20902471RefChem:870916DTXCID001081910820-362-05-Hydroxypyrimidine284682-27-5MFCD064125625-Hydroxypyrimidine CH3COOH Saltpyrimidine, 5-hydroxy-

Weitere Namen anzeigen

5-Hydroxypyrimidine ,98%5-Hydroxypyrimidine acetate5-HydroxypyriMidine. AcOH salt5-Pyrimidinol (6CI,7CI,8CI,9CI)Pyrimidin-5-ol, 5-Hydroxy-1,3-diazine5-Hydroxypyrimidine 97% (acetate salt)5-Hydroxypyrimidine ISO 9001：2015 REACH

(pyrimidin-5-yl)oxidanylSCHEMBL147677SCHEMBL150007SCHEMBL533401orb2893365SCHEMBL12471301TN8662AKOS006282730

Datenbank-Bezeichner

CAS: 26456-59-7、51953-13-0
PubChem CID: 565855
DTXSID: DTXSID20902471
EC Number: 820-362-0
Nikkaji: J542.686C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 46 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 51

Physikochemische Eigenschaften

Schmelzpunkt: 212 · 212-214°C
Siedepunkt: 227.2 · 227.2±13.0 °C(Predicted)
Dichte: 1.293 · 1.293±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly)
pka: 6.6 · 6.60±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Light Beige to Beige
InChI: InChI=1S/C4H4N2O/c7-4-1-5-3-6-2-4/h1-3,7H
InChIKey: LTXJLQINBYSQFU-UHFFFAOYSA-N
SMILES: C1=NC=C(O)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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 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.