4-Chloro-7-methylquinoline

HCID 12326334

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 63136-61-8
Standard-SMILES: Cc1ccc2c(Cl)ccnc2c1
InChIKey: SLBWENCMEQRYEG-UHFFFAOYSA-N
Summenformel: C10H8ClN
Durchschnittliche Molmasse: 177,63 g/mol
Monoisotopische Masse: 177,034527

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-7-methylquinoline
IUPAC: 4-chloro-7-methylquinoline
Englischer Name: 4-Chloro-7-methoxyquinoline
Summenformel: C10H8ClN
Molmasse: 177.63

Namen und Synonyme

4-Chloro-7-methylquinoline63136-61-8DTXSID20489636RefChem:98502DTXCID40440446804-037-0MFCD09752823Quinoline, 4-chloro-7-methyl-4-chloro-7-methyl-quinolineSCHEMBL317506AKOS006283018AB51456

Weitere Namen anzeigen

4-Chloro-7-methylquinoline, AldrichCPRAC-28306SY227426SCHEMBL20563714SCHEMBL23607342SCHEMBL30380536Methyl5-(1-piperidinyl)-2-pyrAS-59931

Datenbank-Bezeichner

CAS: 63136-61-8
PubChem CID: 12326334
DTXSID: DTXSID20489636
EC Number: 804-037-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Aggregatzustand: solid
Farbe: Brown
InChI: 1S/C10H8ClN/c1-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3
InChIKey: SLBWENCMEQRYEG-UHFFFAOYSA-N
SMILES: Cc1ccc2c(Cl)ccnc2c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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.