5-(4-Nitrophenyl)-2-furaldehyd

5-(4-Nitrophenyl)-2-furaldehyde

HCID 81567CAS 7147-77-5

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Grundinformationen

Standard-SMILES: O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIKey: RTSOJVJDKNKNFU-UHFFFAOYSA-N
Summenformel: C11H7NO4
Durchschnittliche Molmasse: 217,18 g/mol
Monoisotopische Masse: 217,0375077

Namen und Bezeichner

Bevorzugter Name: 5-(4-Nitrophenyl)-2-furaldehyde
IUPAC: 5-(4-nitrophenyl)furan-2-carbaldehyde
Lokaler Name: 5-(4-Nitrophenyl)-2-furaldehyd
Englischer Name: 5-(4-Nitrophenyl)-2-furaldehyde
Summenformel: C11H7NO4
Molmasse: 217.18

Namen und Synonyme

7147-77-55-(4-Nitrophenyl)-2-furaldehyde5-(4-Nitrophenyl)furfural5-(4-Nitrophenyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(4-nitrophenyl)-5-(p-Nitrophenyl)furfuralEINECS 230-459-4NSC-31431DO5AR91I76UNII-DO5AR91I765-(4-Nitrophenyl)furfuraldehyde5-(p-Nitrophenyl)-2-furaldehyde

Weitere Namen anzeigen

AKOS BB-8346AKOS B019718TOSLAB 719457AURORA KA-4231ASISCHEM N164815-(4-Nitrophenyl)-TIMTEC-BB SBB000565ART-CHEM-BB B019718Dantrolene USP RC C

DTXSID702216842-Furaldehyde, 5-(p-nitrophenyl)-NSC 314315-(p-Nitrophenyl)-2-furancarboxaldehydeRefChem:101713DTXCID00144175230-459-4RTSOJVJDKNKNFU-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 7147-77-5
PubChem CID: 81567
DTXSID: DTXSID70221684
UNII: DO5AR91I76
EC Number: 230-459-4
Nikkaji: J227.397G

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: 268

Physikochemische Eigenschaften

Schmelzpunkt: 204 · 204-206 °C(lit.)
Siedepunkt: 406.8 · 406.8±35.0 °C(Predicted)
Dichte: 1.348 · 1.348±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly, Heated), Ethyl Acetate (Slightly, Heated)
Aggregatzustand: Solid
Farbe: Yellow to Dark Yellow
Major Application: pharmaceutical (small molecule)
InChI: InChI=1S/C11H7NO4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-7H
InChIKey: RTSOJVJDKNKNFU-UHFFFAOYSA-N
SMILES: O1C(C2=CC=C([N+]([O-])=O)C=C2)=CC=C1C=O
CAS Datenbank: 7147 · 7147-77-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 42 reports by companies from 5 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.