1-Phenyl-2-propyn-1-one - CAS 3623-15-2

Catalog:	BB022913
Product Name:	1-Phenyl-2-propyn-1-one
CAS:	3623-15-2
Synonyms:	1-phenylprop-2-yn-1-one

Technical Data

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Computed Properties

IUPAC Name:	1-phenylprop-2-yn-1-one
Description:	1-Phenyl-2-propyn-1-one (CAS# 3623-15-2) is a useful research chemical.
Molecular Weight:	130.14
Molecular Formula:	C9H6O
Canonical SMILES:	C#CC(=O)C1=CC=CC=C1
InChI:	InChI=1S/C9H6O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7H
InChI Key:	JITPLZPWKYUTDM-UHFFFAOYSA-N
Boiling Point:	213.7 °C at 760 mmHg
Purity:	95 %
Density:	1.073 g/cm³
MDL:	MFCD06661646
LogP:	1.50250

Publication Number	Title	Priority Date
CN-113201149-A	Modified lignin compound, high-toughness lignin-based polymer composite material, preparation method and application	20210508
CN-111925324-A	Synthetic method of 3-acyl quinoline compound	20200907
CN-111995691-A	Cellulose ether derivative, preparation method and application	20200821
CN-111471999-A	Low-toxicity palladium-free electroplating process for plastic structural member	20200513
CN-111423296-A	Î² -halogenated enamine acid ester compound and preparation method thereof	20200414

PMID	Publication Date	Title	Journal
21207579	20110110	One-pot synthesis of 1,3,5-tribenzoylbenzenes by three consecutive Michael addition reactions of 1-phenyl-2-propyn-1-ones in pressurized hot water in the absence of added catalysts	Chemistry (Weinheim an der Bergstrasse, Germany)
21578743	20091107	5,15-Bis(3,5-di-tert-butyl-phen-yl)-10,20-bis-(phenyl-ethyn-yl)porphyrin	Acta crystallographica. Section E, Structure reports online
16149780	20050916	The alpha-effect in reactions of sp-hybridized carbon atom: Michael-type reactions of 1-aryl-2-propyn-1-ones with primary amines	The Journal of organic chemistry
15922836	20050601	Benzoyl and/or benzyl substituted 1,2,3-triazoles as potassium channel activators. VIII	European journal of medicinal chemistry
15565235	20041207	Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations	Organic & biomolecular chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	166
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:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1