2-Chloro-8-methylquinoline-3-carboxaldehyde

AKOS AU36-M571 · ASISCHEM D48938 · TIMTEC-BB SBB000448 · IFLAB-BB F0805-0001 · 2-CHLORO-8-METHYLQUINOLINE-3-CAR · 2-Chloro-3-formyl-8-methylquinoline · 2-CHLORO-8-METHYLQUINOLINE-3-CARBOXALDE · 2-CHLORO-8-METHYL-QUINOLINE-3-CARBALDEHYDE

https://huagongshe.com/ko/chemical/689082

2-Chloro-8-methylquinoline-3-carboxaldehyde 분자 구조식

식별자 및 물리적 특성

CAS No.	73568-26-0
분자식	C11H8ClNO
평균 분자량	205.64 g/mol
단동위원소 질량	205.02944156 g/mol
SMILES	Cc1cccc2cc(C=O)c(Cl)nc12
InChIKey	YPBRSXNRWFUUOE-UHFFFAOYSA-N
PubChem CID	689082
ChEMBL	CHEMBL4436994
EC No.	626-711-1
DTXSID	DTXSID90351038

화학 및 물리적 성질

XLogP	3
극성 표면적	30
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	14
형식 전하	0
복잡도	221
녹는점	138-141 °C (lit.)
끓는 점	350.8±37.0 °C(Predicted)
밀도	1.312±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	-1.29±0.50(Predicted)
물리적 상태	결정성 분말
색상	노란색에서 황갈색
InChI	1S/C11H8ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-6H,1H3
InChIKey	YPBRSXNRWFUUOE-UHFFFAOYSA-N
SMILES	[H]C(=O)c1cc2cccc(C)c2nc1Cl

화학적 성질

Yellow to yellow-brown crystalline powder

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	29334990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

2-Chloro-8-methylquinoline-3-carboxaldehyde acts as a reagent in the synthesis of 2-Azetidinones from 2-chloro-8-Me-3-quinolinecarbaldehyde as potential antimicrobial agents, preparation and antibacterial activity of thiazoloquinoline Schiff bases as potential antibacterial agents.