4-Chloro-6,7-dimethoxyquinoline

HCID 459610CAS 35654-56-9

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Grundinformationen

Standard-SMILES: COc1cc2nccc(Cl)c2cc1OC
InChIKey: WRVHQEYBCDPZEU-UHFFFAOYSA-N
Summenformel: C11H10ClNO2
Durchschnittliche Molmasse: 223,65 g/mol
Monoisotopische Masse: 223,04000624

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-6,7-dimethoxyquinoline
IUPAC: 4-chloro-6,7-dimethoxyquinoline
Englischer Name: 4-chloro-6,7-dimethoxyquinoline
Summenformel: C11H10ClNO2
Molmasse: 223.66

Namen und Synonyme

4-Chloro-6,7-dimethoxyquinoline35654-56-9DTXSID30332684RefChem:98475DTXCID20283777676-028-84-Chloro-6,7-dimethoxy-quinolineMFCD077784376,7-Dimethoxy-4-chloroquinoline4-chloro-6,7-dimethoxy quinolineQUINOLINE, 4-CHLORO-6,7-DIMETHOXY-CS-D1175

Weitere Namen anzeigen

4-Chloro-6,7-dimethoxyquioline4-CHLORO-67-DIMETHOXYQUINOLINEoro-6,7-dimethoxyquinoLCabozantinib Impurity 71Cabozantinib Chloro Analog4-Chloro-6,7-dimethoxy-quinolin

AKOS005188230PB30954C2938BCP26870A6221JPZ3QT9MF3SCHEMBL359988orb3143830

Datenbank-Bezeichner

CAS: 35654-56-9
PubChem CID: 459610
DTXSID: DTXSID30332684
UNII: JPZ3QT9MF3
EC Number: 109-055-6、676-028-8
Nikkaji: J3.764.890F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 31,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 215

Physikochemische Eigenschaften

Schmelzpunkt: 132 to · 132.0 to 136.0 °C
Siedepunkt: 325.2 · 325.2±37.0 °C(Predicted)
Dichte: 1.265 · 1.265±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.95 · 3.95±0.30(Predicted)
Farbe: Pale Brown to Light Brown
InChI: InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3
InChIKey: WRVHQEYBCDPZEU-UHFFFAOYSA-N
SMILES: N1C2C(=CC(OC)=C(OC)C=2)C(Cl)=CC=1
CAS Datenbank: 35654 · 35654-56-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (98%): 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 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (98%)

Acute Tox. 3 (100%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN2811
hs_code: 29334900
risk_code: 25
hazard_code: T
safety_code: 45-24/25
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Chloro-6,7-dimethoxyquinoline, can be used as an intermediate for the synthesis of various pharmaceutical and biologically active compounds. It is used for the preparation of Tivozanib (T447205), and Cabozantinib (C051500), acting as anticancer agents.