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1-Phenyl-2-propyn-1-one - ≥95%, high purity , CAS No.3623-15-2

COA

Grade & Purity:

≥95%

Cas Number: 3623-15-2
Molecular Weight: 130.14
MDL number: MFCD06661646
PubChem CID: 77179

In stock

Item Number

P752650

Grouped product items
SKU	Size	Availability	Price	Qty
P752650-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
P752650-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90

Basic Description

Synonyms	1-Phenylpropynone \| Ethynyl phenyl ketone
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Aryl ketones Alpha,beta-unsaturated ketones Acetylides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl ketone - Benzoyl - Alpha,beta-unsaturated ketone - Ketone - Acetylide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-phenylprop-2-yn-1-one
INCHI	InChI=1S/C9H6O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7H
InChIKey	JITPLZPWKYUTDM-UHFFFAOYSA-N
Smiles	C#CC(=O)C1=CC=CC=C1
Isomeric SMILES	C#CC(=O)C1=CC=CC=C1
Molecular Weight	130.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light sensitive
Boil Point(°C)	70-74 ℃
Melt Point(°C)	50-51 ℃
Molecular Weight	130.139 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	130.042 Da
Monoisotopic Mass	130.042 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	166.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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