2,4-Dichloro-3-nitroquinoline

HCID 2785138CAS 132521-66-5

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl
InChIKey: RSFJVCHKGRUCIC-UHFFFAOYSA-N
Summenformel: C9H4Cl2N2O2
Durchschnittliche Molmasse: 243,04 g/mol
Monoisotopische Masse: 241,96498273

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-3-nitroquinoline
IUPAC: 2,4-dichloro-3-nitroquinoline
Englischer Name: 2,4-Dichloro-3-nitro-quinoline
Summenformel: C9H4Cl2N2O2
Molmasse: 243.05

Namen und Synonyme

2,4-dichloro-3-nitroquinoline132521-66-5DTXSID90382862RefChem:246209DTXCID60333886819-859-52,4-dichloro-3-nitro-quinolineQuinoline, 2,4-dichloro-3-nitro-MFCD056662852,4-dichloro-3-nitro quinolineSCHEMBL159319AKOS000320153

Weitere Namen anzeigen

Zinc02551827AURORA KA-41442,4-Dichlor-3-nitro-chinolin3-NITRO-2,4-DICHLORO QUINOLINE2,4-Dichloro-3-nitroquinoline 95%Benzaldehyde,4-methoxy-4-(phenylmethoxy)-2,4-DICHLORO-3-NITRO-QUINOLINE ISO 9001：2015 REACH

AB22422AC-18616AS-43339DU3N6UU5A6orb3022825SCHEMBL29809325TPL0175FD159596

Datenbank-Bezeichner

CAS: 132521-66-5
PubChem CID: 2785138
DTXSID: DTXSID90382862
UNII: DU3N6UU5A6
EC Number: 819-859-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 259

Physikochemische Eigenschaften

Schmelzpunkt: 102 °C · 102 °C(Solv: methanol (67-56-1); ethyl acetate (141-78-6))
Siedepunkt: 359.7 · 359.7±37.0 °C(Predicted)
Dichte: 1.593 · 1.593±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: -4.98 · -4.98±0.50(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C9H4Cl2N2O2/c10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15/h1-4H
InChIKey: RSFJVCHKGRUCIC-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(Cl)=C([N+]([O-])=O)C=1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933499090

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2,4-Dichloro-3-nitroquinoline is a chemotherapeutic drug that belongs to the class of epidermal growth factor receptor (EGFR) inhibitors. This agent has anticancer activity against cells in the G1 phase of the cell cycle and may also have some antiproliferative effects on tumor cells. 2,4-Dichloro-3-nitroquinoline binds to EGFR and inhibits the binding of epidermal growth factor (EGF) to its receptor. This binding causes the activation of downstream signaling pathways that regulate cell proliferation.

Verwenden2,4-Dichloro-3-nitroquinoline has antitumor activity.