5-Nitro-2-furaldehyd
5-Nitrofurfural
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Grundinformationen
- CAS
698-63-5- Standard-SMILES
O=Cc1ccc([N+](=O)[O-])o1- InChIKey
SXINBFXPADXIEY-UHFFFAOYSA-N- Summenformel
- C5H3NO4
- Durchschnittliche Molmasse
- 141,08 g/mol
- Monoisotopische Masse
- 141,00620758
Überblick
5-Nitrofurfural is a member of furans and a C-nitro compound.
Namen und Bezeichner
- Bevorzugter Name
- 5-Nitrofurfural
- IUPAC
- 5-nitrofuran-2-carbaldehyde
- Lokaler Name
- 5-Nitro-2-furaldehyd
- Englischer Name
- 5-Nitrofurfural
- Summenformel
- C5H3NO4
- Molmasse
- 141.08
Namen und Synonyme
5-NITRO-2-FURALDEHYDE5-Nitrofurfural698-63-55-NitrofurfuraldehydeNitrofurfural5-Nitro-2-furfural2-Furancarboxaldehyde, 5-nitro-5-Nitro-2-furancarboxaldehyde2-Furaldehyde, 5-nitro-Furfural, 5-nitro-5-NitrofuraldehydeXXX18AU0Z3
Weitere Namen anzeigen
AKOS B0042445-Nitrofurural5-nitro-furfuraNiftyer Impurity 7Nitrofuraldehyde,97%
NSC-5574NSC-111144DTXSID30220097RefChem:103254DTXCID30142588211-816-35-nitrofuran-2-carbaldehydeC5H3NO4
Datenbank-Bezeichner
- CAS
698-63-5- PubChem CID
- 12774
- DTXSID
DTXSID30220097- ChEMBL
CHEMBL351937- ChEBI
CHEBI:34459- UNII
- XXX18AU0Z3
- EC Number
- 211-816-3
- Nikkaji
- J60.118G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 76 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 152
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
LogP1.01
Color/FormPALE YELLOW IN PETROLEUM ETHER
SolubilitySLIGHTLY SOL IN WATER, SOL IN PETROLEUM ETHER
Boiling Point128-132 °C @ 10 MM HG
Melting Point35-36 °C
Physikochemische Eigenschaften
- Schmelzpunkt
- 37 · 37-39 °C(lit.)
- Siedepunkt
- 121 °C10 · 121 °C10 mm Hg(lit.)
- Dichte
- 1.349 g/mL · 1.349 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.59(lit.)
- Flammpunkt
- 92 °F · 92 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H228 (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.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24617
5-Nitrofurfural: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Sol. 2 (90%)
Toxikologische Informationen
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.
Chemie und Industrie
Verwendung und Herstellung
UsesCHEM INT FOR NITROFURAN ANTIBACTERIAL DRUG PRODUCTS
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Methods of ManufacturingNITRATION OF FURFURAL FOLLOWED BY CONVERSION OF THE INTERMEDIATE 2-ACETOXY-2,5-DIHYDROFURAN WITH PYRIDINE
Anwendungen
BeschreibungNitrofuran 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.
Verwenden5-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.
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