2-Hydroxy-5-nitrobenzaldehyde - CAS 97-51-8
Catalog: |
BB042058 |
Product Name: |
2-Hydroxy-5-nitrobenzaldehyde |
CAS: |
97-51-8 |
Synonyms: |
2-hydroxy-5-nitrobenzaldehyde |
IUPAC Name: | 2-hydroxy-5-nitrobenzaldehyde |
Description: | 2-Hydroxy-5-nitrobenzaldehyde (CAS# 97-51-8) is a useful research chemical. |
Molecular Weight: | 167.12 |
Molecular Formula: | C7H5NO4 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C=O)O |
InChI: | InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H |
InChI Key: | IHFRMUGEILMHNU-UHFFFAOYSA-N |
Boiling Point: | 300.2 °C at 760 mmHg |
Melting Point: | 125-129 °C |
Purity: | 98 % |
Density: | 1.5 g/cm3 |
Appearance: | Yellow to brown crystals or powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007337 |
LogP: | 1.63610 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23090023 | 20121022 | Acute toxicity and gastroprotective effect of the Schiff base ligand ¹H-indole-3-ethylene-5-nitrosalicylaldimine and its nickel (II) complex on ethanol induced gastric lesions in rats | Molecules (Basel, Switzerland) |
22385538 | 20120530 | Photoswitchable nanoparticles for triggered tissue penetration and drug delivery | Journal of the American Chemical Society |
22590151 | 20120501 | Bis(μ-4-nitro-2-{[2-(oxidometh-yl)phen-yl]imino-meth-yl}phenolato)bis-[chlorido(dimethyl sulfoxide)-iron(III)] dimethyl sulfoxide disolvate | Acta crystallographica. Section E, Structure reports online |
22590283 | 20120501 | rac-Methyl 2-(2-formyl-4-nitro-phen-oxy)hexa-noate | Acta crystallographica. Section E, Structure reports online |
22590287 | 20120501 | 4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylyl-idene)]diphenolate | Acta crystallographica. Section E, Structure reports online |
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: | 2 |
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