1,2-Dihydropyrazin-2-one

HCID 72758

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Basic information

CAS: 6270-63-9
Standard SMILES: O=c1cncc[nH]1
InChIKey: HUTNOYOBQPAKIA-UHFFFAOYSA-N
Molecular formula: C4H4N2O
Average molar mass: 96.09 g/mol
Monoisotopic mass: 96.03236276

Names & identifiers

Preferred name: 1,2-Dihydropyrazin-2-one
IUPAC: 1H-pyrazin-2-one
English name: 2-Hydroxypyrazine
Molecular formula: C4H4N2O
Molecular weight: 96.09

Names & synonyms

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

Show more names

HydroxypyrazinePyrazine-2(1H)-one

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 137

Physicochemical properties

Melting point: 185 · 185-186 ºC
Density: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly, Heated)
form: Solid
pka: 11.69 · 11.69±0.20(Predicted)
color: 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
FDA UNII: 5 VLE8C2MU · N5VLE8C2MU
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HS Code: 2933998090 · 2933998090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)；Eye Dam. 1 (95.2%)

Safety data

wgk: 3
hs_code: 2933998090
risk_code: 22-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 26-39
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P264-P270-P280-P301+P312-P305+P351+P338-P501

Chemistry & industry

Applications

Uses2-Hydroxypyrazine also used in the synthesis of potential antioxidants. Is also used in the preparation of antibacterial agents as 2-substituted pyrazine derivatives.