ChemicalBook--->CAS DataBase List--->698-63-5

698-63-5

698-63-5 Structure

698-63-5 Structure
IdentificationMore
[Name]

5-Nitrofurfural
[CAS]

698-63-5
[Synonyms]

2-FURANCARBOXALDEHYDE, 5-NITRO-
5-NITRO-2-FURALDEHYDE
5-NITROFURALDEHYDE
5-NITROFURFURAL
5-NITROFURFURALDEHYDE
AKOS B004244
LABOTEST-BB LT00920647
2-Formyl-5-nitrofuran
2-Furaldehyde, 5-nitro-
5-Furancarboxaldehyde, 5-nitro-
5-nitro-2-furaldehyd
5-Nitro-2-furancarboxaldehyde
5-nitro-5-furancarboxaldehyd
5-nitro-5-furancarboxaldehyde
5-Nitro-furan-2-carbaldehyde
5-nitro-furfura
Furfural, 5-nitro-
Nitrofurfural
Nitrofuraldehyde,97%
5-Nitro-2-furaldehyde,99%
[EINECS(EC#)]

211-816-3
[Molecular Formula]

C5H3NO4
[MDL Number]

MFCD00003230
[Molecular Weight]

141.08
[MOL File]

698-63-5.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow to brown crystalline low melting solid
[Melting point ]

37-39 °C(lit.)
[Boiling point ]

121 °C10 mm Hg(lit.)
[density ]

1.349 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.59(lit.)
[Fp ]

92 °F
[storage temp. ]

Flammables area
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
[form ]

Crystalline Low Melting Solid
[color ]

Yellow to brown
[Water Solubility ]

sparingly soluble
[Sensitive ]

Air & Light Sensitive
[BRN ]

120539
[InChIKey]

SXINBFXPADXIEY-UHFFFAOYSA-N
[CAS DataBase Reference]

698-63-5(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Furancarboxaldehyde, 5-nitro-(698-63-5)
Safety DataBack Directory
[Hazard Codes ]

F,Xi,Xn
[Risk Statements ]

R11:Highly Flammable.
R68:Possible risk of irreversible effects.
R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[RTECS ]

LT7200000
[Hazard Note ]

Irritant
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29321900
[Hazardous Substances Data]

698-63-5(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Ethyl acetate-->Diethyl ether-->Sulfuric acid-->PETROLEUM ETHER-->Nitric acid-->Sodium sulfate-->Acetic anhydride-->Sodium bicarbonate-->Pyridine-->p-Toluenesulfonic acid-->Furfural
[Preparation Products]

5-NITRO-2-FUROYL CHLORIDE-->2-[(E)-2-BROMOVINYL]-5-NITROFURAN-->3-(5-Nitro-2-furyl)acrylic acid-->2-[(5-NITRO-2-FURYL)METHOXY]TETRAHYDRO-2H-PYRAN-->5-NITROFURFURYL ALCOHOL-->5-NITRO-2-FURONITRILE-->Nitrofurazone-->Difurazone-->Furaltadone-->5-nitro-2-furaldehyde (5-nitrofurfurylene)hydrazone-->5-Nitrofuran-2-acrylaldehyde-->5-Nitro-2-furoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Nitrofurfural(698-63-5).msds
Hazard InformationBack Directory
[Description]

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.
[Chemical Properties]

Yellow to brown crystalline low melting solid
[Uses]

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.
[Uses]

NFC and its derivatives have antibacterial and antifungal activities. They destroy both gram-positive and gram-negative organisms such as Staphylococcus aureus, Salmonella schotmuelleri, Pseudomonas aeruginosa, Proteus vulgaris, Escherichia coli, and Streptococcus pyogenes. They may be used as antibacterial agents in a prophylactic manner, for example, in cleaning and disinfecting products. This compound also has antitrichomonal and antifungal activities.
[Definition]

ChEBI: 5-Nitrofurfural is a C-nitro compound and a member of furans.
[Production Methods]

Furfural is nitrated in acetic anhydride solution at 25 – 40 ℃ to give the diacetate [92-55-7], which is purified by recrystallization from isopropanol and then used directly for the production of derived drugs.
[Toxicity evaluation]

NFC inhibits the uptake of oxygen and disrupts cellular respiration within mitochondria. NFC and other nitrofurans are relatively potent inhibitors of monoamine oxidase enzyme in mammalian and avian species.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Nitrofurfural(698-63-5)MS
5-Nitrofurfural(698-63-5)1HNMR
5-Nitrofurfural(698-63-5)IR1
5-Nitrofurfural(698-63-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Nitro-2-furaldehyde, 97%(698-63-5)
[Alfa Aesar]

5-Nitro-2-furaldehyde, 99%(698-63-5)
[TCI AMERICA]

5-Nitro-2-furaldehyde,>97.0%(GC)(698-63-5)
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