4-(Phenylethynyl)benzaldehyde - CAS 57341-98-7

Catalog:	BB029651
Product Name:	4-(Phenylethynyl)benzaldehyde
CAS:	57341-98-7
Synonyms:	4-(2-phenylethynyl)benzaldehyde; 4-(2-phenylethynyl)benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-(2-phenylethynyl)benzaldehyde
Description:	4-(Phenylethynyl)benzaldehyde (CAS# 57341-98-7) is a useful research chemical.
Molecular Weight:	206.24
Molecular Formula:	C15H10O
Canonical SMILES:	C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=O
InChI:	InChI=1S/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H
InChI Key:	SYCFYQFCFHKYPI-UHFFFAOYSA-N
Boiling Point:	364.2 °C at 760 mmHg
Density:	1.14 g/cm³
MDL:	MFCD00114585
LogP:	2.89890

Publication Number	Title	Priority Date
CN-113372238-A	Imine compound and its synthesis method and use	20210630
CN-113480396-A	Method for synthesizing cis-olefin by selective semi-hydrogenation	20210617
BR-102019023450-A2	molecules with tacrine-ethinyl-phenyl-cinnamamide hybrid core with anticholinergic property, pharmaceutical composition, synthesis process and its uses	20191107
CN-110386854-A	A kind of preparation method of the aryl alkynes of visible light catalytic	20190807
US-2020387071-A1	Composition for forming organic film, patterning process, and polymer	20190604

PMID	Publication Date	Title	Journal
19379015	20090528	Conformationally constrained analogues of diacylglycerol (DAG). 31. Modulation of the biological properties of diacylgycerol lactones (DAG-lactones) containing rigid-rod acyl groups separated from the core lactone by spacer units of different lengths	Journal of medicinal chemistry
18788772	20081007	Self-assembly and lipid interactions of diacylglycerol lactone derivatives studied at the air/water interface	Langmuir : the ACS journal of surfaces and colloids

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; 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:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.073164938
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.073164938
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2