4-Chloro-8-methoxy-2-methylquinoline

HCID 807583CAS 64951-58-2

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Grundinformationen

Standard-SMILES: COc1cccc2c(Cl)cc(C)nc12
InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
Summenformel: C11H10ClNO
Durchschnittliche Molmasse: 207,65 g/mol
Monoisotopische Masse: 207,0450916

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-8-methoxy-2-methylquinoline
IUPAC: 4-chloro-8-methoxy-2-methylquinoline
Englischer Name: 4-CHLORO-8-METHOXY-2-METHYLQUINOLINE
Summenformel: C11H10ClNO
Molmasse: 207.66

Namen und Synonyme

4-Chloro-8-methoxy-2-methylquinoline64951-58-2DTXSID40355586RefChem:291949DTXCID10306646676-787-5MFCD002724014-Chloro-8-methoxy-2-methyl-quinoline4-Chloro-8-methoxyquinaldineCBMicro_008398SCHEMBL316994SCHEMBL29393886

Weitere Namen anzeigen

4-chloro-8-Methoxxyquinaldine8-Methoxy-4-chloro-2-Methyl quinoline2-methyl-4-chloro-8-methoxy quinolineQuinoline, 4-chloro-8-methoxy-2-methyl-4-Chloro-8-methoxy-2-methylquinoline 97%4-chloro-8-methoxy-2-methylquinoline - [C87161]

WLZ4017RHSCPZBPNUZBOA-UHFFFAOYSA-NSMSF0009987SBB0792484-chloro-2-methyl-8-methoxyquinolineAKOS000507495CB11345FC28940

Datenbank-Bezeichner

CAS: 64951-58-2
PubChem CID: 807583
DTXSID: DTXSID40355586
EC Number: 676-787-5

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: 80 · 80-85 °C
Siedepunkt: 308.8 · 308.8±37.0 °C(Predicted)
Dichte: 1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.67 · 2.67±0.50(Predicted)
Aggregatzustand: solid
InChI: InChI=1S/C11H10ClNO/c1-7-6-9(12)8-4-3-5-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKey: RHSCPZBPNUZBOA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2OC)C(Cl)=CC=1C
CAS Datenbank: 64951 · 64951-58-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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 (90.9%)；Eye Dam. 1 (90.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933499090
risk_code: 25-41
hazard_code: Xi,T
safety_code: 26-39-45
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

Chemie und Industrie

Anwendungen

Verwenden4-CHLORO-8-METHOXY-2-METHYLQUINOLINE is an organic chemical and pharmaceutical intermediate, its chloro group on quinoline core make it uesful for synthesizing functional materials and bioactive molecules.