2-Chloro-6-methoxyquinoline-3-carbaldehyde

HCID 689079

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Grundinformationen

CAS: 73568-29-3
Standard-SMILES: COc1ccc2nc(Cl)c(C=O)cc2c1
InChIKey: TZQOMBXDCIPJKW-UHFFFAOYSA-N
Summenformel: C11H8ClNO2
Durchschnittliche Molmasse: 221,64 g/mol
Monoisotopische Masse: 221,0243562

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-methoxyquinoline-3-carbaldehyde
IUPAC: 2-chloro-6-methoxyquinoline-3-carbaldehyde
Englischer Name: 2-Chloro-6-methoxyquinoline-3-carbaldehyde
Summenformel: C11H8ClNO2
Molmasse: 221.64

Namen und Synonyme

2-chloro-6-methoxyquinoline-3-carbaldehyde73568-29-32-Chloro-6-methoxyquinoline-3-carboxaldehydeDTXSID10351035RefChem:469678DTXCID50302102626-712-72-Chloro-6-methoxy-3-quinolinecarboxaldehydeMFCD001605853-Quinolinecarboxaldehyde, 2-chloro-6-methoxy-Oprea1_4311292-chloro-6-methoxy-3-quinolinecarbaldehyde

Weitere Namen anzeigen

SBB000610ZINC00058230493996_ALDRICHAKOS AU36-M573ASISCHEM T87168AKOS BBS-00007299RARECHEM AK VD 0016TIMTEC-BB SBB000610

2-chloro-6-methoxy-quinoline-3-carbaldehydeSTK794942SB68778CS-0199785EN300-169482-Chloro-3-formyl-6-methoxyquinolineOprea1_295155orb3022559

Datenbank-Bezeichner

CAS: 73568-29-3
PubChem CID: 689079
DTXSID: DTXSID10351035
ChEMBL: CHEMBL4514847
EC Number: 626-712-7
Nikkaji: J1.114.389J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 237

Physikochemische Eigenschaften

Schmelzpunkt: 149 · 149-151 °C(lit.)
Siedepunkt: 373.9 · 373.9±37.0 °C(Predicted)
Dichte: 1.348 · 1.348±0.06 g/cm3(Predicted)
Flammpunkt: -9 ° · -9°(16°F)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.29 · -1.29±0.50(Predicted)
Wasserlöslichkeit: Insoluble in water.
InChI: 1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3
InChIKey: TZQOMBXDCIPJKW-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc2cc(OC)ccc2nc1Cl
CAS Datenbank: 73568 · 73568-29-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
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

VerwendenMainly used as solvents. They are used in intermediate steps for the production of paints, plastics, synthetic resins, and dyes. They are also used in the manufacture of perfumes, solvents, and flavorings. As raw material in organic synthesis.