1,2-Dihydropyrazin-2-one

HCID 72758CAS 6270-63-9

기본 정보

표준 SMILES: O=c1cncc[nH]1
InChIKey: HUTNOYOBQPAKIA-UHFFFAOYSA-N
분자식: C4H4N2O
평균 분자량: 96.09 g/mol
단동위원소 질량: 96.03236276

이름 및 식별자

우선 이름: 1,2-Dihydropyrazin-2-one
IUPAC: 1H-pyrazin-2-one
영어명: 2-Hydroxypyrazine
분자식: C4H4N2O
분자량: 96.09

이름 및 동의어

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

이름 더 보기

HydroxypyrazinePyrazine-2(1H)-one

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.5
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 185 · 185-186 ºC
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태: 고체
산도 계수 (pKa): 11.69 · 11.69±0.20(Predicted)
색상: 황백색부터 연한 갈색까지
InChI: 1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
InChIKey: HUTNOYOBQPAKIA-UHFFFAOYSA-N
SMILES: Oc1cnccn1

화학적 성질

light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

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

화학 및 산업

응용 분야

용도2-Hydroxypyrazine also used in the synthesis of potential antioxidants. Is also used in the preparation of antibacterial agents as 2-substituted pyrazine derivatives.