7-Chloro-2-methylquinoline

HCID 138395CAS 4965-33-7

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Grundinformationen

Standard-SMILES: Cc1ccc2ccc(Cl)cc2n1
InChIKey: WQZQFYRSYLXBGP-UHFFFAOYSA-N
Summenformel: C10H8ClN
Durchschnittliche Molmasse: 177,63 g/mol
Monoisotopische Masse: 177,03452694

Namen und Bezeichner

Bevorzugter Name: 7-Chloro-2-methylquinoline
IUPAC: 7-chloro-2-methylquinoline
Englischer Name: 7-Chloro-2-methylquinoline
Summenformel: C10H8ClN
Molmasse: 177.63

Namen und Synonyme

7-Chloro-2-methylquinoline7-ChloroquinaldineDTXSID0057752WQZQFYRSYLXBGP-UHFFFAOYSA-DTXCID1031541RefChem:546105440-600-3610-466-2InChI=1/C10H8ClN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H34965-33-72-methyl-7-chloroquinolineQuinoline, 7-chloro-2-methyl-

Weitere Namen anzeigen

Chloroquinaldine7 CHLORO QUINALDENEChloroquinaldine,98%7-Chloro-2-methylqui7-Chloroquildine, 99%7-Chloroquinaldine>7-CHLOROQUINALDINE 99%7-chloroquine pyridine

MFCD000754367-Chloro-2-methyl-quinoline7-Chloroquinaldine, 99%7-Chloro-2-methylquinoline #Tox21_113767CS-W020576DS-0535PS-8565

Datenbank-Bezeichner

CAS: 4965-33-7
PubChem CID: 138395
DTXSID: DTXSID0057752
ChEMBL: CHEMBL3561836
UNII: BY8DPR5AAZ
EC Number: 440-600-3、610-466-2
Nikkaji: J908.225E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
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: 74 · 74-78 °C (lit.)
Siedepunkt: 87 °C · 87 °C / 0.5mmHg
Dichte: 1.181 · 1.1810 (rough estimate)
Brechungsindex: 1.6 · 1.6000 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 4.25 · 4.25±0.50(Predicted)
Aggregatzustand: Solid
Farbe: Pale Yellow to Light Beige
BRN: 115318 · 115318
InChI: InChI=1S/C10H8ClN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3
InChIKey: WQZQFYRSYLXBGP-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(Cl)C=2)C=CC=1C
CAS Datenbank: 4965 · 4965-33-7(CAS DataBase Reference)
NIST chemische Informationen: 7 · Quinoline, 7-chloro-2-methyl-(4965-33-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3146

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)

Not Classified

Sicherheitsdaten

wgk: 3
hs_code: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden7-Chloroquinaldine is used as the starting material in the synthesis of (E)-1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-propen-1-ol (C381415); an intermediate in the synthesis of the antiasthmatic, Montelukast Sodium Salt (M568000).