4-Chlor-2-methylchinolin

4-Chloro-2-methylquinoline

HCID 77973CAS 4295-06-1

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Grundinformationen

Standard-SMILES: Cc1cc(Cl)c2ccccc2n1
InChIKey: HQAIROMRVBVWSK-UHFFFAOYSA-N
Summenformel: C10H8ClN
Durchschnittliche Molmasse: 177,63 g/mol
Monoisotopische Masse: 177,03452694

Namen und Bezeichner

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

Namen und Synonyme

4-Chloro-2-methylquinoline4295-06-14-ChloroquinaldineQuinoline, 4-chloro-2-methyl-Quinaldine, 4-chloro-DTXSID10195572EINECS 224-300-8Quinoline, 4(?)-chloro-2-methyl-NSC 89752AI3-12127RefChem:98389DTXCID50118063

Weitere Namen anzeigen

Compound Fr13648AKOS BBS-00000956TIMTEC-BB SBB0053624-Chloroquinaldine 99%4-Chloro-2-methylquinoline>Quinoline, 4-chloro-2-methyl-

224-300-8HQAIROMRVBVWSK-UHFFFAOYSA-N4-chloro-2-methyl-quinoline2-Methyl-4-chloroquinolineMFCD000067574-CHLOROQUINALDINE HCl4-chloro-quinaldine4-Chloroquinaldine, 99%

Datenbank-Bezeichner

CAS: 4295-06-1
PubChem CID: 77973
DTXSID: DTXSID10195572
ChEMBL: CHEMBL1619469
EC Number: 224-300-8
Nikkaji: J29.106D

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

Physikochemische Eigenschaften

Schmelzpunkt: 39 °C · 39 °C
Siedepunkt: 269 · 269-270 °C (lit.)
Dichte: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.622(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to lump to clear liquid
pka: 4.4 · 4.40±0.50(Predicted)
Farbe: White or Colorless to Yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 3522 · 3522
InChI: InChI=1S/C10H8ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
InChIKey: HQAIROMRVBVWSK-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(Cl)=CC=1C
CAS Datenbank: 4295 · 4295-06-1(CAS DataBase Reference)

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.