2-Benzyloxybenzaldehyde - CAS 5896-17-3

Catalog:	BB030217
Product Name:	2-Benzyloxybenzaldehyde
CAS:	5896-17-3
Synonyms:	2-phenylmethoxybenzaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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

Publication Number	Title	Priority Date
KR-102303899-B1	Pharmaceutical composition comprising oleracone as an active ingredient for preventing or treating brain disease	20210312
CN-112441981-A	1,2, 5-polysubstituted imidazole derivative and synthesis method and application thereof	20201208
CN-111269154-A	Synthetic method of aryl and/or alkyl methane compound containing sulfonyl	20200210
CN-111269154-B	Synthetic method of aryl and/or alkyl methane compound containing sulfonyl	20200210
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220

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

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

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

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