3-Ethoxysalicylaldehyde - CAS 492-88-6
Catalog: |
BB026680 |
Product Name: |
3-Ethoxysalicylaldehyde |
CAS: |
492-88-6 |
Synonyms: |
3-ethoxy-2-hydroxybenzaldehyde |
IUPAC Name: | 3-ethoxy-2-hydroxybenzaldehyde |
Description: | 3-Ethoxysalicylaldehyde (CAS# 492-88-6) is used as a reactant in the preparation of a library of (potentially fluorescent) coumarinyltriazoles by regioselective copper-catalyzed 1,3-dipolar cycloadditions of coumarinylazides and alkynes. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CCOC1=CC=CC(=C1O)C=O |
InChI: | InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H3 |
InChI Key: | OFQBYHLLIJGMNP-UHFFFAOYSA-N |
Boiling Point: | 263-264 °C (lit.) |
Density: | 1.186 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Yellow to brown powder, crystals, needles or crystalline powder and/or chunks |
MDL: | MFCD00003323 |
LogP: | 1.60340 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22807839 | 20120701 | 2-Eth-oxy-6-{(E)-[(4-methyl-phen-yl)imino]-meth-yl}phenol | Acta crystallographica. Section E, Structure reports online |
22590286 | 20120501 | 2-Eth-oxy-6-[1-(3-eth-oxy-2-hy-droxy-benz-yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate | Acta crystallographica. Section E, Structure reports online |
22589757 | 20120401 | [N'-(3-Eth-oxy-2-oxidobenzyl-idene)-4-hy-droxy-3-meth-oxy-benzohydrazidato](methanol)dioxidomolybdenum(VI) | Acta crystallographica. Section E, Structure reports online |
22589906 | 20120401 | (E)-3-[(3-Eth-oxy-2-hy-droxy-benzyl-idene)amino]-benzoic acid | Acta crystallographica. Section E, Structure reports online |
22347042 | 20120201 | 1-(4-{[(E)-3-Eth-oxy-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime | Acta crystallographica. Section E, Structure reports online |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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