5-Nitro-2-furaldehyd

5-Nitrofurfural

HCID 12774CAS 698-63-5
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Grundinformationen

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 Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
76 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
10

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

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 2 Einträge

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 · 5 Einträge

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.

Sicherheitsdaten

wgk
3
ridadr
UN 1325 4.1/PG 2
hs_code
29321900
RTECS-Nr.
LT7200000
risk_code
11-68-10
hazard_code
F,Xi,Xn

Chemie und Industrie

Verwendung und Herstellung

UsesCHEM INT FOR NITROFURAN ANTIBACTERIAL DRUG PRODUCTS
U.S. Exports · 2 Einträge

(1977) No Data

(1979) No Data

U.S. Imports · 2 Einträge

(1977) No Data

(1979) No Data

U.S. Production · 2 Einträge

(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 · 2 Einträge

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.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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