4-Chloro-6-methoxy-2-methylquinoline

HCID 610114

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Grundinformationen

CAS: 50593-73-2
Standard-SMILES: COc1ccc2nc(C)cc(Cl)c2c1
InChIKey: WABDZSKKLDCIRM-UHFFFAOYSA-N
Summenformel: C11H10ClNO
Durchschnittliche Molmasse: 207,65 g/mol
Monoisotopische Masse: 207,0450916

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-6-methoxy-2-methylquinoline
IUPAC: 4-chloro-6-methoxy-2-methylquinoline
Englischer Name: 4-CHLORO-6-METHOXY-2-METHYLQUINOLINE
Summenformel: C11H10ClNO
Molmasse: 207.66

Namen und Synonyme

4-Chloro-6-methoxy-2-methylquinoline50593-73-2DTXSID10346168RefChem:521620DTXCID50297241661-120-24-Chloro-6-methoxy-2-methyl-quinolineMFCD00093863Quinoline, 4-chloro-6-methoxy-2-methyl-6-Methoxy-4-chloroquinalidineEnamine_001632SCHEMBL317463

Weitere Namen anzeigen

Qu071TIMTEC-BB SBB0101264-CHLORO-6-METHOXYQUINALDINE6-Methoxy-4-chloro quinilidine4-CHLORO-6-METHOXY-2-METHYLQUINOLIN6-Methoxy-4-chloro-2-methylquinoline2-Methyl-4-chloro-6-methoxyquinolineQuinoline,4-chloro-6-methoxy-2-methyl-

WLZ3936HMS1398K04HMS5169I11ACA59373SBB010126STL296382AKOS000115099AB03352

Datenbank-Bezeichner

CAS: 50593-73-2
PubChem CID: 610114
DTXSID: DTXSID10346168
EC Number: 661-120-2
Nikkaji: J354.528H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 200

Physikochemische Eigenschaften

Schmelzpunkt: 92 · 92-93 °C(Solv: ethanol (64-17-5))
Siedepunkt: 308.8 · 308.8±37.0 °C(Predicted)
Dichte: 1.228 · 1.228±0.06 g/cm3(Predicted)
pka: 4.41 · 4.41±0.50(Predicted)
Aggregatzustand: powder
Farbe: Light purple
InChI: 1S/C11H10ClNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3
InChIKey: WABDZSKKLDCIRM-UHFFFAOYSA-N
SMILES: ClC1=CC(C)=NC(C=C2)=C1C=C2OC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 3 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 CategoriesAcute Tox. 3 (97.6%)；Skin Irrit. 2 (95.1%)；Eye Dam. 1 (97.6%)；STOT SE 3 (95.1%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933499090
risk_code: 36/37/38-41
hazard_code: Xi
safety_code: 26-36/37/39-39
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1