5-Nitro-2-furaldehyde - CAS 698-63-5
Catalog: |
BB033994 |
Product Name: |
5-Nitro-2-furaldehyde |
CAS: |
698-63-5 |
Synonyms: |
5-nitrofuran-2-carbaldehyde |
IUPAC Name: | 5-nitrofuran-2-carbaldehyde |
Description: | 5-Nitro-2-furaldehyde (CAS# 698-63-5) is an intermediate in the synthesis of Nifurtimox (N458800), an antiprotozoal. Showing anti-Trypanosoma cruzi activity. |
Molecular Weight: | 141.08 |
Molecular Formula: | C5H3NO4 |
Canonical SMILES: | C1=C(OC(=C1)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H |
InChI Key: | SXINBFXPADXIEY-UHFFFAOYSA-N |
Boiling Point: | 121 °C (10 torr) |
Melting Point: | 34-35 °C |
Purity: | 95 % |
Density: | 1.349 g/cm3 |
Solubility: | Slightly sol in water, Sol in petroleum ether |
Appearance: | Brown crystals |
Storage: | Flammables area |
MDL: | MFCD00003230 |
LogP: | 1.52350 |
GHS Hazard Statement: | H228 (89.8%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P201, P202, P210, P240, P241, P280, P281, P308+P313, P370+P378, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336729-A | Nifuratel derivatives, and preparation method and application thereof | 20210531 |
CN-112457304-A | Preparation method of nifuratel | 20201207 |
CN-112362786-A | Method for identifying impurities generated by long-term storage of 5-nitrofurfural diacetate | 20201124 |
CN-111533733-A | Preparation method of novel nifuratel series derivatives | 20200511 |
DE-102019218788-A1 | Multi-tonal hair coloring process in three steps | 20191203 |
PMID | Publication Date | Title | Journal |
25772432 | 20150504 | Chemical structure-related mechanisms underlying in vivo genotoxicity induced by nitrofurantoin and its constituent moieties in gpt delta rats | Toxicology |
22886578 | 20121001 | Effects of varied substituents on the antibacterial activity of triazolylmethyl oxazolidinones | Archiv der Pharmazie |
21629508 | 20110101 | Screening of Potential anti-Trypanosoma cruzi Candidates: In Vitro and In Vivo Studies | The open medicinal chemistry journal |
22216017 | 20110101 | Metal-based biologically active compounds: synthesis, spectral, and antimicrobial studies of cobalt, nickel, copper, and zinc complexes of triazole-derived schiff bases | Bioinorganic chemistry and applications |
20850299 | 20101101 | Design, synthesis, and biological evaluation of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives as potent antitubercular agents | Bioorganic & medicinal chemistry letters |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.00620758 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.00620758 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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