4-Hydroxy-3-nitrobenzaldehyde - CAS 3011-34-5
Catalog: |
BB020455 |
Product Name: |
4-Hydroxy-3-nitrobenzaldehyde |
CAS: |
3011-34-5 |
Synonyms: |
4-hydroxy-3-nitrobenzaldehyde |
IUPAC Name: | 4-hydroxy-3-nitrobenzaldehyde |
Description: | 4-Hydroxy-3-nitrobenzaldehyde (CAS# 3011-34-5) is an Intermediate used in synthesis of novel amodiaquine analogs as potential antimalarial and antifilarial compounds. |
Molecular Weight: | 167.12 |
Molecular Formula: | C7H5NO4 |
Canonical SMILES: | C1=CC(=C(C=C1C=O)[N+](=O)[O-])O |
InChI: | InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H |
InChI Key: | YTHJCZRFJGXPTL-UHFFFAOYSA-N |
Boiling Point: | 275 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.5 g/cm3 |
Appearance: | Yellow-brown to brown powder |
MDL: | MFCD00007117 |
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 |
21837036 | 20110701 | 3-Chloro-N'-(4-hy-droxy-3-nitro-benzyl-idene)benzohydrazide methanol disolvate | Acta crystallographica. Section E, Structure reports online |
21522990 | 20110108 | 4-Hy-droxy-N'-(4-hy-droxy-3-nitro-benzyl-idene)benzohydrazide | Acta crystallographica. Section E, Structure reports online |
21522991 | 20110108 | 2-Hy-droxy-N'-(4-hy-droxy-3-nitro-benzyl-idene)benzohydrazide | Acta crystallographica. Section E, Structure reports online |
20431615 | 20100601 | Aqabamycins A-G: novel nitro maleimides from a marine Vibrio species: II. Structure elucidation | The Journal of antibiotics |
20431617 | 20100601 | Aqabamycins A-G: novel nitro maleimides from a marine Vibrio species. I. Taxonomy, fermentation, isolation and biological activities | The Journal of antibiotics |
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: | 1.5 |
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