3-Cyano-2-pyridone

HCID 577543

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 20577-27-9
표준 SMILES: N#Cc1ccc[nH]c1=O
InChIKey: DYUMBFTYRJMAFK-UHFFFAOYSA-N
분자식: C6H4N2O
평균 분자량: 120.11 g/mol
단동위원소 질량: 120.03236276

이름 및 식별자

우선 이름: 3-Cyano-2-pyridone
IUPAC: 2-oxo-1H-pyridine-3-carbonitrile
영어명: 2-Hydroxy-3-cyanopyridine
분자식: C6H4N2O
분자량: 120.11

이름 및 동의어

20577-27-93-CYANO-2-PYRIDONERefChem:4731252-Hydroxynicotinonitrile3-Cyano-2-hydroxypyridine2-Hydroxy-3-cyanopyridine2-Hydroxypyridine-3-carbonitrile95907-03-25657-63-62-oxo-1H-pyridine-3-carbonitrile2-oxo-1,2-dihydropyridine-3-carbonitrile1,2-DIHYDRO-2-OXOPYRIDINE-3-CARBONITRILE

이름 더 보기

3-Cyano-2-pyridinol3-Cyano-1H-pyridin-2-one3-Cyanopyridin-2(1H)-one2-Hydroy-3-cyanopyridine2-Hydroxy-3-cycnopyridine2-HYDROXY-3-PYRIDINECARBONITRILE

3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-cyanopyridoneMFCD07363805CHEMBL2314370MFCD006618653-PYRIDINECARBONITRILE, 2-HYDROXY-3-CYANO-2(1H)-PYRIDINONEcyano-pyridone

데이터베이스 식별자

CAS: 20577-27-9、95907-03-2
PubChem CID: 577543
DTXSID: DTXSID20942771
ChEMBL: CHEMBL2314370
ChEBI: CHEBI:189264
EC Number: 690-002-3、804-893-5
Nikkaji: J761.157I

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 52.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 241

물리화학적 성질

녹는점: 90 · 90-94
끓는 점: 352.3 · 352.3±35.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 디메틸설폭사이드에 용해됩니다.
물리적 상태: 고체
산도 계수 (pKa): 8.93 · 8.93±0.10(Predicted)
InChI: InChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
InChIKey: DYUMBFTYRJMAFK-UHFFFAOYSA-N
SMILES: C1(=O)NC=CC=C1C#N

화학적 성질

Dark Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (95%): 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 40 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.