4-Ethynylbenzaldehyde - CAS 63697-96-1

Catalog:	BB032242
Product Name:	4-Ethynylbenzaldehyde
CAS:	63697-96-1
Synonyms:	Benzaldehyde, 4-ethynyl-; 4-Formylphenylacetylene; p-Ethynylbenzaldehyde

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Computed Properties

Related CAS:	1416436-49-1 (Deleted CAS)
IUPAC Name:	4-ethynylbenzaldehyde
Molecular Weight:	130.14
Molecular Formula:	C9H6O
Canonical SMILES:	C#CC1=CC=C(C=C1)C=O
InChI:	InChI=1S/C9H6O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-7H
InChI Key:	BGMHQBQFJYJLBP-UHFFFAOYSA-N
Boiling Point:	223.8±23.0°C at 760 mmHg
Melting Point:	128°C
Purity:	≥95%
Density:	1.07±0.1 g/cm3
Appearance:	White to Orange to Brown Powder or Crystalline Powder
Storage:	Store at -20°C under inert atmosphere
MDL:	MFCD05664348
LogP:	1.48040

Publication Number	Title	Priority Date
CN-113354595-A	Synthesis method of polysubstituted isoxazolidine	20210702
CN-113321625-A	Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound	20210606
CN-113121510-A	Naphthofuran o-quinone compound, preparation method and application thereof, antitumor pharmaceutical composition and antibacterial pharmaceutical composition	20210326
CN-113354670-A	Preparation method of BODIPY fluorescent probe containing triazole ring and application of BODIPY fluorescent probe in ion monitoring	20210305
CN-112679744-A	Method for converting two-dimensional COFs material into three-dimensional COFs material	20201204

PMID	Publication Date	Title	Journal
21082817	20101228	Molecular bridging of silicon nanogaps	ACS nano
15819547	20050418	Facile synthesis, structure, and luminescence properties of Pt(diimine)bis(arylacetylide) chromophore-donor dyads	Inorganic chemistry
12793813	20030616	Synthesis and characterization of platinum diimine bis(acetylide) complexes containing easily derivatizable aryl acetylide ligands	Inorganic chemistry

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[70199-62-1]
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[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.041864811
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	130.041864811
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6