2-OXO-1,2-DIHYDRO-퀴놀린-3-카발데하이드

2-Hydroxyquinoline-3-carbaldehyde

HCID 589334CAS 91301-03-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cc2ccccc2[nH]c1=O
InChIKey: VWHKEYXRRNSJTN-UHFFFAOYSA-N
분자식: C10H7NO2
평균 분자량: 173.17 g/mol
단동위원소 질량: 173.04767846

이름 및 식별자

우선 이름: 2-Hydroxyquinoline-3-carbaldehyde
IUPAC: 2-oxo-1H-quinoline-3-carbaldehyde
현지명: 2-OXO-1,2-DIHYDRO-퀴놀린-3-카발데하이드
영어명: 2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE
분자식: C10H7NO2
분자량: 173.17

이름 및 동의어

91301-03-02-hydroxyquinoline-3-carbaldehydeDTXSID30343371RefChem:473519DTXCID90294451804-534-22-Oxo-1,2-dihydro-quinoline-3-carbaldehyde2-oxo-1H-quinoline-3-carbaldehyde2-Oxo-1,2-dihydro-3-quinolinecarbaldehyde2-oxo-1,2-dihydroquinoline-3-carbaldehyde3-FORMYL-2QUINOLONE1,2-DIHYDRO-2-OXOQUINOLINE-3-CARBOXALDEHYDE

이름 더 보기

2-OXO-1,2-DIHYDRO-퀴놀린-3-카발데하이드AKOS BBS-00005352IFLAB-BB F0342-00361,2-Dihydro-3-formyl-2-oxoquinoline2(1H)-Quinolinone-3-carboxaldehyde, 97%2-OXO-1,2-DIHYDRO-3-QUINOLINECARBOXALDEHYDE

MFCD005634431,2-dihydro-2-oxoquinoline-3-carbaldehyde1,2-Dihydro-2-oxo-3-quinolinecarboxaldehyde2-oxohydroquinoline-3-carbaldehyde3-formylcarbostyrilquinolone-3-carbaldehyde2-hydroxy-3-formylquinoline3-formyl-2-hydroxyquinoline

데이터베이스 식별자

CAS: 91301-03-0
PubChem CID: 589334
DTXSID: DTXSID30343371
ChEMBL: CHEMBL3609843
EC Number: 804-534-2
Nikkaji: J695.294A

물성

구조 계산 물성

XLogP: 1
극성 표면적: 46.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 270

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 250 °C · >250°C
끓는 점: 434.9 · 434.9±45.0 °C(Predicted)
밀도: 1.367 · 1.367±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 10.82 · 10.82±0.70(Predicted)
물리적 상태: 고체
색상: 흰색에서 갈색으로
InChI: 1S/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)
InChIKey: VWHKEYXRRNSJTN-UHFFFAOYSA-N
SMILES: Oc1nc2ccccc2cc1C=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.