2-Chloro-8-methylquinoline-3-carboxaldehyde

HCID 689082CAS 73568-26-0

기본 정보

표준 SMILES: Cc1cccc2cc(C=O)c(Cl)nc12
InChIKey: YPBRSXNRWFUUOE-UHFFFAOYSA-N
분자식: C11H8ClNO
평균 분자량: 205.64 g/mol
단동위원소 질량: 205.02944156

이름 및 식별자

우선 이름: 2-Chloro-8-methylquinoline-3-carboxaldehyde
IUPAC: 2-chloro-8-methylquinoline-3-carbaldehyde
영어명: 2-CHLORO-8-METHYL-3-QUINOLINE CARBOXALDEHYDE
분자식: C11H8ClNO
분자량: 205.64

이름 및 동의어

73568-26-02-Chloro-8-methylquinoline-3-carboxaldehydeRefChem:469771626-711-12-chloro-8-methylquinoline-3-carbaldehyde2-Chloro-8-methyl-3-quinoline carboxaldehydeMFCD022270412-chloro-8-methyl-3-quinolinecarbaldehyde2-Chloro-8-methyl-quinoline-3-carbaldehyde3-Quinolinecarboxaldehyde, 2-chloro-8-methyl-EN300-01131Y10248

이름 더 보기

AKOS AU36-M571ASISCHEM D48938TIMTEC-BB SBB000448IFLAB-BB F0805-00012-CHLORO-8-METHYLQUINOLINE-3-CAR2-Chloro-3-formyl-8-methylquinoline2-CHLORO-8-METHYLQUINOLINE-3-CARBOXALDE2-Chloro-8-methylquinoline-3-carboxaldehye

2-Chloro-8-methylquinoline-3-carboxaldehyde, 98%Z568368942-Chloro-3-formyl-8-methylquinoline; 2-Chloro-8-methyl-3-quinolinecarbaldehydeBCP331762-chloro-8-methyl-3-quinoline carbaldehydeConcanavalin ADISCONTINUEDSCHEMBL458716CHEMBL4436994

데이터베이스 식별자

CAS: 73568-26-0
PubChem CID: 689082
DTXSID: DTXSID90351038
ChEMBL: CHEMBL4436994
EC Number: 626-711-1
Nikkaji: J1.117.028E

물성

구조 계산 물성

XLogP: 3
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 138 · 138-141 °C (lit.)
끓는 점: 350.8 · 350.8±37.0 °C(Predicted)
밀도: 1.312 · 1.312±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): -1.29 · -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

GHS Classification · 4건

Warning

H315 (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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29334990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-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.