5-Nitrofurfural CAS 698-63-5
Introduction：Basic information about 5-Nitrofurfural CAS 698-63-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
5-Nitrofurfural Basic information
| Product Name: | 5-Nitrofurfural |
| Synonyms: | 5-nitro-furfura;Furfural, 5-nitro-;Nitrofurfural;2-FURANCARBOXALDEHYDE, 5-NITRO-;5-NITRO-2-FURALDEHYDE;5-NITROFURALDEHYDE;5-NITROFURFURAL;5-NITROFURFURALDEHYDE |
| CAS: | 698-63-5 |
| MF: | C5H3NO4 |
| MW: | 141.08 |
| EINECS: | 211-816-3 |
| Product Categories: | Furans;Furans, Benzofurans & Dihydrobenzofurans;ALDEHYDE;Aldehydes;Furans, Benzofurans & Dihydrobenzofurans |
| Mol File: | 698-63-5.mol |
5-Nitrofurfural Chemical Properties
| Melting point | 37-39 °C(lit.) |
| Boiling point | 121 °C10 mm Hg(lit.) |
| density | 1.349 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 92 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| 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 |
| 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 DataBase Reference | 698-63-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Furancarboxaldehyde, 5-nitro-(698-63-5) |
Safety Information
| Hazard Codes | F,Xi,Xn |
| Risk Statements | 11-68-10 |
| Safety Statements | 16-36/37 |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| RTECS | LT7200000 |
| Hazard Note | Irritant |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29321900 |
| Storage Class | 4.1B - Flammable solid hazardous materials |
| Hazard Classifications | Flam. Sol. 1 |
| Hazardous Substances Data | 698-63-5(Hazardous Substances Data) |
| Description | Nitrofuran carboxaldehyde (NFC) is used to synthesizemany drugs and chemicals such as nifuraldezone, puraguanidine,nifuratrone, furmethoxadone, etc. Furfural themain structure of NFC was determined many years ago to bea byproduct of formic acid synthesis. Furfural is producedfrom agricultural byproducts such as sugarcane bagasse andcorncobs. |
| Chemical Properties | Yellow to brown crystalline low melting solid |
| Uses | NFC and its derivatives have antibacterial and antifungalactivities. They destroy both gram-positive and gram-negativeorganisms such as Staphylococcus aureus, Salmonella schotmuelleri,Pseudomonas aeruginosa, Proteus vulgaris, Escherichia coli, andStreptococcus pyogenes. They may be used as antibacterial agentsin a prophylactic manner, for example, in cleaning and disinfectingproducts. This compound also has antitrichomonaland antifungal activities. |
| 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. |
| Definition | ChEBI: 5-Nitrofurfural is a C-nitro compound and a member of furans. |
| Production Methods | Furfural is nitrated in aceticanhydride solution at 25 – 40 ℃ to give thediacetate [92-55-7], which is purified byrecrystallization from isopropanol and thenused directly for the production of deriveddrugs. |
| Toxicity evaluation | NFC inhibits the uptake of oxygen and disrupts cellular respirationwithin mitochondria. NFC and other nitrofurans arerelatively potent inhibitors of monoamine oxidase enzyme inmammalian and avian species. |
| References | [1] Chemistry - A European Journal, 2010, vol. 16, # 42, p. 12718 - 12726 [2] Patent: CN108101874, 2018, A. Location in patent: Paragraph 0006; 0017; 0020; 0023; 0026; 0028; 0031 [3] RSC Advances, 2014, vol. 4, # 25, p. 12834 - 12839 [4] Journal of the American Chemical Society, 1931, vol. 53, p. 1923 [5] Green Chemistry, 2017, vol. 19, # 5, p. 1315 - 1326 |
5-Nitrofurfural Preparation Products And Raw materials
| 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 |
