5-Chlorosalicylaldehyde - CAS 635-93-8
Catalog: |
BB032209 |
Product Name: |
5-Chlorosalicylaldehyde |
CAS: |
635-93-8 |
Synonyms: |
5-chloro-2-hydroxybenzaldehyde |
IUPAC Name: | 5-chloro-2-hydroxybenzaldehyde |
Description: | 5-Chlorosalicylaldehyde (CAS# 635-93-8) is a useful synthetic intermediate and a key precursor to a variety chelating agents.5-Chlorosalicyaldehyde is used to synthesize imine resveratrol (R150000) derivatives as multi-targeted agents against Alzheimer's disease. |
Molecular Weight: | 156.57 |
Molecular Formula: | C7H5ClO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C=O)O |
InChI: | InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H |
InChI Key: | FUGKCSRLAQKUHG-UHFFFAOYSA-N |
Boiling Point: | 228.8 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.404 g/cm3 |
Appearance: | White to very slightly yellow crystalline powder |
MDL: | MFCD00003331 |
LogP: | 1.85810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21815774 | 20120601 | Metal-based new sulfonamides: Design, synthesis, antibacterial, antifungal, and cytotoxic properties | Journal of enzyme inhibition and medicinal chemistry |
22590065 | 20120501 | Chlorido[4-chloro-2-(pyridin-2-yl-methyl-imino-meth-yl)phenolato-κ(3)N,N',O]copper(II) | Acta crystallographica. Section E, Structure reports online |
22590408 | 20120501 | (E)-4-Amino-N'-(5-chloro-2-hy-droxy-benzyl-idene)benzohydrazide | Acta crystallographica. Section E, Structure reports online |
22365879 | 20120401 | Antimicrobial activity of sulfonamides containing 5-chloro-2-hydroxybenzaldehyde and 5-chloro-2-hydroxybenzoic acid scaffold | European journal of medicinal chemistry |
22589943 | 20120401 | N'-(5-Chloro-2-hy-droxy-benzyl-idene)-4-meth-oxy-benzohydrazide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.9978071 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.9978071 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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