5-(3-Nitrophenyl)furfural

HCID 612417CAS 13148-43-1

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Grundinformationen

Standard-SMILES: O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIKey: DXUACWQWQDJZMY-UHFFFAOYSA-N
Summenformel: C11H7NO4
Durchschnittliche Molmasse: 217,18 g/mol
Monoisotopische Masse: 217,0375077

Namen und Bezeichner

Bevorzugter Name: 5-(3-Nitrophenyl)furfural
IUPAC: 5-(3-nitrophenyl)furan-2-carbaldehyde
Englischer Name: 5-(3-NITROPHENYL)-2-FURALDEHYDE
Summenformel: C11H7NO4
Molmasse: 217.18

Namen und Synonyme

5-(3-Nitrophenyl)furfuralRefChem:530014620-836-55-(3-nitrophenyl)furan-2-carbaldehyde13148-43-15-(3-Nitrophenyl)-2-furaldehyde2-Furancarboxaldehyde, 5-(3-nitrophenyl)-MFCD000461065-(3-Nitrophenyl)-2-furancarboxaldehyde5-(3-Nitro-phenyl)-furan-2-carbaldehyde2-formyl-5-(3-nitrophenyl)furan2-Furancarboxaldehyde,5-(3-nitrophenyl)-

Weitere Namen anzeigen

AKOS B019744AKOS BAR-1989ART-CHEM-BB B0197445-(3-Nitrophenyl)furfural,98%5-(3-NITROPHENYL)FURFURAL 97%

5-(m-Nitrophenyl)furfuralASISCHEM N16486AURORA KA-4222MLS000332569SCHEMBL1960867SCHEMBL2323398CHEMBL1414099TIMTEC-BB SBB000566

Datenbank-Bezeichner

CAS: 13148-43-1
PubChem CID: 612417
DTXSID: DTXSID30346468
ChEMBL: CHEMBL1414099
EC Number: 620-836-5
Nikkaji: J1.617.584F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 76 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 276

Experimentelle und physikochemische Eigenschaften

Solubility6.3 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 156 · 156-158 °C(lit.)
CAS Datenbank: 13148 · 13148-43-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.