(1H)-Pyrazin-2-on

1,2-Dihydropyrazin-2-one

HCID 72758CAS 6270-63-9

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Grundinformationen

Standard-SMILES: O=c1cncc[nH]1
InChIKey: HUTNOYOBQPAKIA-UHFFFAOYSA-N
Summenformel: C4H4N2O
Durchschnittliche Molmasse: 96,09 g/mol
Monoisotopische Masse: 96,03236276

Namen und Bezeichner

Bevorzugter Name: 1,2-Dihydropyrazin-2-one
IUPAC: 1H-pyrazin-2-one
Lokaler Name: (1H)-Pyrazin-2-on
Englischer Name: 2-Hydroxypyrazine
Summenformel: C4H4N2O
Molmasse: 96.09

Namen und Synonyme

1,2-dihydropyrazin-2-oneRefChem:8704602-Hydroxypyrazine6270-63-9Pyrazin-2-olPyrazinol124784-76-52(1H)-Pyrazinonepyrazin-2(1H)-one1H-pyrazin-2-onePyrazinol (9CI)PYRAZINONE

Weitere Namen anzeigen

HydroxypyrazinePyrazine-2(1H)-one

MFCD00233966(1H)-Pyrazin-2-oneNSC36081N5VLE8C2MUNSC-360812-PyrazinolPYRAZINE-2-OLhydroxy pyrazine

Datenbank-Bezeichner

CAS: 6270-63-9
PubChem CID: 72758
DTXSID: DTXSID10211781
UNII: N5VLE8C2MU
EC Number: 228-455-2
Nikkaji: J3.008.931F、J92.509H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,5
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-186 ºC
Dichte: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
Aggregatzustand: Solid
pka: 11.69 · 11.69±0.20(Predicted)
Farbe: Off-White to Light Brown
InChI: 1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
InChIKey: HUTNOYOBQPAKIA-UHFFFAOYSA-N
SMILES: Oc1cnccn1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 (95.2%)；Eye Dam. 1 (95.2%)

Sicherheitsdaten

wgk: 3
hs_code: 2933998090
risk_code: 22-41
hazard_code: Xn
safety_code: 26-39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Anwendungen

Verwenden2-Hydroxypyrazine also used in the synthesis of potential antioxidants. Is also used in the preparation of antibacterial agents as 2-substituted pyrazine derivatives.