5-Nitro-2-furaldehyd

5-NITRO-2-FURALDEHYDE · AKOS B004244 · Nitrofurfural · 5-Nitrofurural · 5-nitro-furfura · 5-NITROFURFURAL · Furfural, 5-nitro- · 5-NITROFURALDEHYDE

https://huagongshe.com/de/chemical/12774

Molekülstruktur von 5-Nitro-2-furaldehyd

Identifikatoren & physikalische Daten

CAS No.	698-63-5
Summenformel	C5H3NO4
Durchschnittliche Molmasse	141,08 g/mol
Monoisotopische Masse	141,00620758 g/mol
SMILES	O=Cc1ccc([N+](=O)[O-])o1
InChIKey	SXINBFXPADXIEY-UHFFFAOYSA-N
PubChem CID	12774
ChEMBL	CHEMBL351937
ChEBI	CHEBI:34459
EC No.	211-816-3
DTXSID	DTXSID30220097
Lokaler Name	5-Nitro-2-furaldehyd

Chemische & physikalische Eigenschaften

XLogP	1
Polarare Oberfläche (TPSA)	76
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	152
SpringerMaterials Properties	Boiling point
LogP (Verteilungskoeffizient)	1.01
Color/Form	PALE YELLOW IN PETROLEUM ETHER
Löslichkeit	SLIGHTLY SOL IN WATER, SOL IN PETROLEUM ETHERChloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)sparingly soluble
Siedepunkt	128-132 °C @ 10 MM HG121 °C10 mm Hg(lit.)
Schmelzpunkt	35-36 °C37-39 °C(lit.)
Dichte	1.349 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.59(lit.)
Flammpunkt	92 °F
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	Crystalline Low Melting Solid
Farbe	Yellow to brown
BRN	120539
InChI	1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
InChIKey	SXINBFXPADXIEY-UHFFFAOYSA-N
SMILES	[H]C(=O)c1ccc(o1)[N+]([O-])=O
CAS Datenbank	698-63-5(CAS DataBase Reference)
NIST chemische Informationen	2-Furancarboxaldehyde, 5-nitro-(698-63-5)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH228 (90%): Flammable solid [Danger Flammable solids]P203, P210, P240, P241, P280, P318, P370+P378, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/246175-Nitrofurfural: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Sol. 2 (90%)
Non-Human Toxicity Excerpts	MUTAGENICITY: MUTATION RESEARCH 76: 169 (1980). ESCHERICHIA COLI WP2 - REVERSE MUTATION STUDIES: NEGATIVE.A BREAKDOWN PRODUCT, 5-NITRO-2-FURALDEHYDE, LIBERATED FROM FURADANTIN & FUROXONE, INDUCED MASS MUTATIONS IN BOTH DIVIDING & NONDIVIDING CELLS OF EUGLENA GRACILIS.5-NITRO-2-FURALDEHYDE WAS MUTAGENIC FOR MYCOBACTERIUM PHLEI, THE EFFECT BEING MEASURED BY INDUCTION OF REVERSIONS IN AUXOTROPHIC STRAINS, OF MUTANTS RESISTANT TO ISONIAZID, & OF PHENOTYPIC CHANGES.5 -NITRO-2-FURALDEHYDE SELECTIVELY INFLUENCED THE MITOTIC ACTIVITY OF ONION & BROAD BEAN CELLS. IT WAS ALSO MUTAGENIC IN PLANT CELLS, RESULTING IN MITOTIC & CHROMOSOMAL ABERRATIONS.A BREAKDOWN PRODUCT, 5-NITRO-2-FURALDEHYDE, LIBERATED FROM FURADANTIN & FUROXONE, INDUCED REVERSE MUTATIONS IN AUXOTROPHIC MYCOBACTERIUM PHLEI.
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 1325 4.1/PG 2
Zollcode	29321900
RTECS-Nr.	LT7200000
R-Sätze (R)	11-68-10
Gefahrensymbole	F,Xi,Xn
hazard_note	Irritant
Sicherheitshinweise (S)	16-36/37

Anwendungen & Verwendung

Beschreibung

Nitrofuran carboxaldehyde (NFC) is used to synthesize many drugs and chemicals such as nifuraldezone, puraguanidine, nifuratrone, furmethoxadone, etc. Furfural the main structure of NFC was determined many years ago to be a byproduct of formic acid synthesis. Furfural is produced from agricultural byproducts such as sugarcane bagasse and corncobs.

Verwenden

5-Nitro-2-furaldehyde was used in the synthesis of a series of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives. . It was also used in the synthesis of modified mesoporous silica (MCM-41). 5-Nitrofurfural can be commonly used as pharmaceutical intermediates.