2-Hydroxy-3-nitrobenzaldehyde - CAS 5274-70-4
Catalog: |
BB027927 |
Product Name: |
2-Hydroxy-3-nitrobenzaldehyde |
CAS: |
5274-70-4 |
Synonyms: |
2-hydroxy-3-nitrobenzaldehyde |
IUPAC Name: | 2-hydroxy-3-nitrobenzaldehyde |
Description: | 2-Hydroxy-3-nitrobenzaldehyde (CAS# 5274-70-4) is an intermediate used to prepare benzoxazole derivatives as melatonin receptor agonists. It is also used in the synthesis of benzenesulfonamide derivatives with 12-lipoxygenase inhibitory activities. |
Molecular Weight: | 167.12 |
Molecular Formula: | C7H5NO4 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O |
InChI: | InChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H |
InChI Key: | NUGOTBXFVWXVTE-UHFFFAOYSA-N |
Boiling Point: | 227.8 °C at 760 mmHg |
Melting Point: | 105-110 °C |
Purity: | 95 % |
Density: | 1.5 g/cm3 |
Appearance: | Orange to brown powder |
MDL: | MFCD00041874 |
LogP: | 1.63610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21588244 | 20100703 | 2-Hy-droxy-3-nitro-benzaldehyde | Acta crystallographica. Section E, Structure reports online |
17092343 | 20061108 | Mitochondrial oxidative stress and nitrate tolerance--comparison of nitroglycerin and pentaerithrityl tetranitrate in Mn-SOD+/- mice | BMC cardiovascular disorders |
16880715 | 20060801 | [Synthetic studies on aromatic heterocyclic compounds] | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.02185764 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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