2-Chlor-4-methylchinolin

2-Chloro-4-methylquinoline

HCID 69449CAS 634-47-9

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Grundinformationen

Standard-SMILES: Cc1cc(Cl)nc2ccccc12
InChIKey: PFEIMKNQOIFKSW-UHFFFAOYSA-N
Summenformel: C10H8ClN
Durchschnittliche Molmasse: 177,63 g/mol
Monoisotopische Masse: 177,03452694

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-methylquinoline
IUPAC: 2-chloro-4-methylquinoline
Lokaler Name: 2-Chlor-4-methylchinolin
Englischer Name: 2-Chlorolepidine
Summenformel: C10H8ClN
Molmasse: 177.63

Namen und Synonyme

2-Chloro-4-methylquinoline634-47-9Quinoline, 2-chloro-4-methyl-Lepidine, 2-chloro-EINECS 211-209-3NSC 96476DTXSID00212808RefChem:86252Lepidine, 2-chloro-(8CI)DTXCID90135299Quinoline, 2-chloro-4-methyl-(9CI)211-209-3

Weitere Namen anzeigen

AKOS BB-6898Chlorolepidine3-chlorolepidineAKOS BBS-000002152-Chlorolepidine >OTAVA-BB BB01161100262-chloro-4-methyl-quinolin

InChI=1/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1HPFEIMKNQOIFKSW-UHFFFAOYSA-N2-Chlorolepidine2-chloro-4-methyl-quinolineMFCD000067422-chloro-4methylquinoline2U5ATH9EJR2-Chloro-4-methylquinolin

Datenbank-Bezeichner

CAS: 634-47-9
PubChem CID: 69449
DTXSID: DTXSID00212808
UNII: 2U5ATH9EJR
EC Number: 211-209-3
Nikkaji: J95.797F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 55 · 55-58 °C(lit.)
Siedepunkt: 296 °C · 296 °C(lit.)
Dichte: 1.181 · 1.1810 (rough estimate)
Brechungsindex: 1.6224 · 1.6224 (estimate)
Flammpunkt: 296 °C · 296°C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 0.98 · 0.98±0.50(Predicted)
Farbe: White to Almost white
BRN: 118333 · 118333
InChI: InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey: PFEIMKNQOIFKSW-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(C)=CC=1Cl
CAS Datenbank: 634 · 634-47-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · Quinoline, 2-chloro-4-methyl-(634-47-9)

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 45 reports by companies from 5 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: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36-24/25
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-4-methyl-quinoline is a useful synthetic intermediate. It is an intermediate used to synthesize 4-Methyl-2-(1-piperidinyl)-quinoline (M320715) which is a potent inhibitor of TRPC4 channels, responsible for various stimulation, muscle response due to interaction with the environment. 2-Chloro-4-methyl-quinoline is also considered as a cyanine dye.