2-Benzyloxybenzaldehyde - CAS 5896-17-3
Catalog: |
BB030217 |
Product Name: |
2-Benzyloxybenzaldehyde |
CAS: |
5896-17-3 |
Synonyms: |
2-phenylmethoxybenzaldehyde |
IUPAC Name: | 2-phenylmethoxybenzaldehyde |
Description: | 2-(Benzyloxy)benzaldehyde can be used as comprising a bioactive agent. |
Molecular Weight: | 212.24 |
Molecular Formula: | C14H12O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC=C2C=O |
InChI: | InChI=1S/C14H12O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-10H,11H2 |
InChI Key: | PBEJTRAJWCNHRS-UHFFFAOYSA-N |
Boiling Point: | 326 °C |
Melting Point: | 46-47 °C |
Purity: | 95 % |
Density: | 1.339 g/cm3 |
Appearance: | Clear pale yellow liquid |
MDL: | MFCD00016583 |
LogP: | 3.07810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20538508 | 20100915 | Copper(II) and nickel(II) complexes of benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone: Synthesis, characterization and biological activity | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21579427 | 20100515 | (E)-N'-(2-Benzyl-oxybenzyl-idene)isonicotinohydrazide methanol solvate monohydrate | Acta crystallographica. Section E, Structure reports online |
20556206 | 20100423 | Phosphorylation State-Dependent High Throughput Screening of the c-Met Kinase | Current chemical genomics |
21578783 | 20091111 | 2-Benzyl-oxybenzaldehyde azine | Acta crystallographica. Section E, Structure reports online |
19144449 | 20090701 | Synthesis and evaluation of pyrido[1,2-a]pyrimidines as inhibitors of nitric oxide synthases | European journal of medicinal chemistry |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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