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HCID 81567Erstellt: 27. Oktober 2026

5-(4-Nitrophenyl)-2-furaldehyd

AKOS BB-8346 · AKOS B019718 · TOSLAB 719457 · AURORA KA-4231 · ASISCHEM N16481 · 5-(4-Nitrophenyl)- · TIMTEC-BB SBB000565 · ART-CHEM-BB B019718

https://huagongshe.com/de/chemical/81567

Molekülstruktur von 5-(4-Nitrophenyl)-2-furaldehyd

Identifikatoren & physikalische Daten

CAS No.	7147-77-5
Summenformel	C11H7NO4
Durchschnittliche Molmasse	217,18 g/mol
Monoisotopische Masse	217,0375077 g/mol
SMILES	O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIKey	RTSOJVJDKNKNFU-UHFFFAOYSA-N
PubChem CID	81567
EC No.	230-459-4
DTXSID	DTXSID70221684
Lokaler Name	5-(4-Nitrophenyl)-2-furaldehyd

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	76
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	16
Formalladung	0
Komplexität	268
Schmelzpunkt	204-206 °C(lit.)
Siedepunkt	406.8±35.0 °C(Predicted)
Dichte	1.348±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly, Heated), Ethyl Acetate (Slightly, Heated)
Aggregatzustand	Solid
Farbe	Yellow to Dark Yellow
Hauptanwendungen	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	7147-77-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (97.6%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.6%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29329990
R-Sätze (R)	22-36/37/38
Gefahrensymbole	Xn,Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANT
Lagerklasse	11 - Combustible Solids

CAS No.

7147-77-5

Summenformel

C11H7NO4

Durchschnittliche Molmasse

217,18 g/mol

Monoisotopische Masse

217,0375077 g/mol

SMILES

O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1

InChIKey

RTSOJVJDKNKNFU-UHFFFAOYSA-N

PubChem CID

81567

EC No.

230-459-4

DTXSID

DTXSID70221684

Lokaler Name

5-(4-Nitrophenyl)-2-furaldehyd

Chemische & physikalische Eigenschaften

XLogP

2,3

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

268

Schmelzpunkt

204-206 °C(lit.)

Siedepunkt

406.8±35.0 °C(Predicted)

Dichte

1.348±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Sealed in dry,Room Temperature

Löslichkeit

DMSO (Slightly, Heated), Ethyl Acetate (Slightly, Heated)

Aggregatzustand

Solid

Farbe

Yellow to Dark Yellow

Hauptanwendungen

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

7147-77-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (97.6%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.6%)

Wassergefährdungsklasse (WGK)

Zollcode

29329990

R-Sätze (R)

22-36/37/38

Gefahrensymbole

Xn,Xi

Sicherheitshinweise (S)

26-36

Gefahrenklasse

IRRITANT

Lagerklasse

11 - Combustible Solids