5-(4-Chlorophenyl)-2-furaldehyde

HCID 676184CAS 34035-03-5

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Grundinformationen

Standard-SMILES: O=Cc1ccc(-c2ccc(Cl)cc2)o1
InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
Summenformel: C11H7ClO2
Durchschnittliche Molmasse: 206,62 g/mol
Monoisotopische Masse: 206,01345714

Namen und Bezeichner

Bevorzugter Name: 5-(4-Chlorophenyl)-2-furaldehyde
IUPAC: 5-(4-chlorophenyl)furan-2-carbaldehyde
Englischer Name: 5-(4-Chlorophenyl)-2-furaldehyde
Summenformel: C11H7ClO2
Molmasse: 206.63

Namen und Synonyme

34035-03-55-(4-chlorophenyl)-2-furaldehydeDTXSID00350254RefChem:530275DTXCID60301323623-617-25-(4-chlorophenyl)furan-2-carbaldehyde5-(4-Chlorophenyl)furfuralMFCD001959475-(4-Chloro-phenyl)-furan-2-carbaldehyde5-(4-Chlorophenyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(4-chlorophenyl)-

Weitere Namen anzeigen

AKOS B004122AKOS BAR-0548AURORA KA-4235ASISCHEM N16482ZERENEX E/4047331TIMTEC-BB SBB003482ART-CHEM-BB B0041225-(4-CHLOROPHENYL)-2-FURALDEHYD5-(4-Chlorophenyl)furfural, 95+%

2-FORMYL-5-(4-CHLOROPHENYL)FURAN5-(4-Chlorophenyl)furan-2-carboxaldehydeCambridge id 7179578CHEMBL375867SCHEMBL1143469SCHEMBL2322085ROJGJNINTRCMBL-UHFFFAOYSA-N5-(p-chlorophenyl)-2-furaldehyde

Datenbank-Bezeichner

CAS: 34035-03-5
PubChem CID: 676184
DTXSID: DTXSID00350254
ChEMBL: CHEMBL375867
EC Number: 623-617-2
Nikkaji: J892.674C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 30,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 199

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical structure

Physikochemische Eigenschaften

Schmelzpunkt: 128 · 128-131 °C (lit.)
Siedepunkt: 350.7 · 350.7±32.0 °C(Predicted)
Dichte: 1.282 · 1.282±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Needles
Farbe: Pale brown
InChI: 1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)-c2ccc(C=O)o2
CAS Datenbank: 34035 · 34035-03-5(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 42 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: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-(4-Chlorophenyl)furfural is a metabolite of Azimilide (A926950, 2 HCl); an oral type III potassium channel blocker agent that blocks both the rapid activating component and the slow activating component of the delayed rectifier potassium current. Both preclinical and clinical studies have demonstrated the efficacy of Azimilide and its safety in the treatment of supraventricular and ventricular tachyarrhythmia. Azimilide is also being studied in a worldwide multicenter trial for prevention of sudden cardiac death in patients after myocardial infarction.