1,2-ジヒドロピラジン-2-オン

1,2-Dihydropyrazin-2-one

HCID 72758CAS 6270-63-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1cncc[nH]1
InChIKey: HUTNOYOBQPAKIA-UHFFFAOYSA-N
分子式: C4H4N2O
平均分子量: 96.09 g/mol
単同位体質量: 96.03236276

名称と識別子

優先名称: 1,2-Dihydropyrazin-2-one
IUPAC: 1H-pyrazin-2-one
現地名: 1,2-ジヒドロピラジン-2-オン
英語名: 2-Hydroxypyrazine
分子式: C4H4N2O
分子量: 96.09

名称と別名

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

名称をさらに表示

2-ヒドロキシピラジンピラジン-2(1H)-オンピラジン-2-オール2(1H)-ピラジノン1,2-ジヒドロピラジン-2-オンピラジノールHydroxypyrazinePyrazine-2(1H)-one

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

データベース識別子

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

物性

構造計算による物性

XLogP: -1.5
極性表面積: 41.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 137

物理化学的性質

融点: 185 · 185-186 ºC
比重(密度): 1.28 · 1.28±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量、加温）
外見: 個体
酸解離定数(Pka): 11.69 · 11.69±0.20(Predicted)
色: オフホワイトからライトブラウン
InChI: 1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
InChIKey: HUTNOYOBQPAKIA-UHFFFAOYSA-N
SMILES: Oc1cnccn1

化学的性質

化学的特性light yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk: 3
hs_code: 2933998090
risk_code: 22-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

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