1-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

HCID 4914628CAS 67735-60-8

기본 정보

표준 SMILES: Cn1c(=O)c(C=O)cc2ccccc21
InChIKey: AWJCCKYFFMSHCJ-UHFFFAOYSA-N
분자식: C11H9NO2
평균 분자량: 187.19 g/mol
단동위원소 질량: 187.06332853

이름 및 식별자

우선 이름: 1-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
IUPAC: 1-methyl-2-oxoquinoline-3-carbaldehyde
영어명: 1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE
분자식: C11H9NO2
분자량: 187.19

이름 및 동의어

1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde67735-60-8DTXSID20406782RefChem:231644DTXCID70357634973-645-71-Methyl-2-oxo-1,2-dihydro-quinoline-3-carbaldehydeMFCD067382361-methyl-2-oxoquinoline-3-carbaldehyde1-METHYL-2-OXO-1,2-DIHYDRO-3-QUINOLINECARBALDEHYDE1,2-Dihydro-1-methyl-2-oxo-3-quinolinecarboxaldehyde1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxaldehyde

이름 더 보기

3-Quinolinecarboxaldehyde, 1,2-dihydro-1-Methyl-2-oxo-1-methyl-2-oxo-1,2-dihydro-3-quinolinecarbaldehyde(SALTDATA: FREE)

1-methyl-3-formylcarbostyril1,2-dihydro-1-methyl-2-oxoquinoline-3-carbaldehydeSCHEMBL2406376SCHEMBL29954954AWJCCKYFFMSHCJ-UHFFFAOYSA-NALBB-035290AKOS BBS-00006243STK801382

데이터베이스 식별자

CAS: 67735-60-8
PubChem CID: 4914628
DTXSID: DTXSID20406782
EC Number: 973-645-7
Nikkaji: J1.528.291F

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 296

물리화학적 성질

녹는점: 215 ℃ · 215℃
끓는 점: 326.6 · 326.6±41.0 °C(Predicted)
밀도: 1.321 · 1.321
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -0.55 · -0.55±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.