3,4-DIHYDRO-1H-퀴녹살린-2-원

3,4-DIHYDRO-1H-퀴녹살린-2-원 · 3,4-dihydroquinoxalin-2(1H)-one · NSC 73534 · ST5182474 · LUMAT-001 · EU-0033356 · AURORA 6866 · BAS 04379838

https://huagongshe.com/ko/chemical/185949

식별자 및 물리적 특성

CAS No.	59564-59-9
분자식	C8H8N2O
평균 분자량	148.16 g/mol
단동위원소 질량	148.06366288 g/mol
SMILES	O=C1CNc2ccccc2N1
InChIKey	HYTIPJFUWHYQON-UHFFFAOYSA-N
PubChem CID	185949
ChEMBL	CHEMBL4583027
EC No.	664-213-6
DTXSID	DTXSID50208236
현지명	3,4-DIHYDRO-1H-퀴녹살린-2-원

화학 및 물리적 성질

XLogP	0.9
극성 표면적	41.1
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	169
SpringerMaterials Properties	Chemical shift
녹는점	140-143℃
끓는 점	370.5±31.0 °C(Predicted)
밀도	1.186±0.06 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
pKa(산도 계수)	13.24±0.20(Predicted)
InChI	InChI=1S/C8H8N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11)
InChIKey	HYTIPJFUWHYQON-UHFFFAOYSA-N
SMILES	N1C2=C(C=CC=C2)NCC1=O

안전 및 규제

GHS 분류	WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
Hazard Classes and Categories	Acute Tox. 4 (97.5%)
관세 코드	2933998090
위험 표시	Xi
위험 등급	IRRITANT

용도

3,4-Dihydro-1H-quinoxalin-2-one is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.