2-Chloro-8-methylquinoline-3-carboxaldehyde

HCID 689082

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Grundinformationen

CAS: 73568-26-0
Standard-SMILES: Cc1cccc2cc(C=O)c(Cl)nc12
InChIKey: YPBRSXNRWFUUOE-UHFFFAOYSA-N
Summenformel: C11H8ClNO
Durchschnittliche Molmasse: 205,64 g/mol
Monoisotopische Masse: 205,02944156

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-8-methylquinoline-3-carboxaldehyde
IUPAC: 2-chloro-8-methylquinoline-3-carbaldehyde
Englischer Name: 2-CHLORO-8-METHYL-3-QUINOLINE CARBOXALDEHYDE
Summenformel: C11H8ClNO
Molmasse: 205.64

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 221

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-141 °C (lit.)
Siedepunkt: 350.8 · 350.8±37.0 °C(Predicted)
Dichte: 1.312 · 1.312±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: -1.29 · -1.29±0.50(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Yellow to yellow-brown
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
CAS Datenbank: 73568 · 73568-26-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-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.