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Phenylpropiolic Acid - ≥98.0%, high purity , CAS No.637-44-5

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Phenylpropiolic Acid - ≥98.0%, high purity , CAS No.637-44-5

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 637-44-5
Molecular Weight: 146.15
Beilstein Registry Number: 9633
MDL number: MFCD00004361
PubChem CID: 69475
PubChem SID: 488184330

In stock

Item Number

P133964

Grouped product items
SKU	Size	Availability	Price
P133964-1g	1g	10	$9.90
P133964-5g	5g	10	$25.90
P133964-10g	10g	1	$46.90
P133964-25g	25g	8	$95.90
P133964-100g	100g	2	$345.90

View related series

Carbonyl compound (2335) carboxylic acid (2098) Metabolite (5307)

Basic Description

Synonyms	Phenylpropiolic acid \| AMY202100111 \| Phenylacetylene monocarboxylic acid \| EINECS 211-285-8 \| STK208480 \| SY023402 \| 3-Phenylpropiolate \| 3-phenyl-propiolate \| NSC 13669 \| JQ8 \| NSC13669 \| NSC-13669 \| UNII-4KE28XZ9GX \| AD-266/40164861 \| Phenyl-2-propynoi
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Phenylpropiolic acid can:React with 2-tert-butoxypyridine in the presence of boron trifluoride·diethyl etherate to form the corresponding tert-butyl ester.Undergo decarboxylative coupling with aryl halides such as p-chloroiodobenzene and 1-chloro-4-iodobenzene.Undergo halodecarboxylation to form 1-haloalkynes.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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

Pubchem Sid	488184330
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184330
IUPAC Name	3-phenylprop-2-ynoic acid
INCHI	InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChIKey	XNERWVPQCYSMLC-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C#CC(=O)O
Isomeric SMILES	C1=CC=C(C=C1)C#CC(=O)O
WGK Germany	3
PubChem CID	69475
Molecular Weight	146.15
Beilstein	9633
Reaxy-Rn	742587

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

25 results found

Lot Number	Certificate Type	Date	Item
E2329204	Certificate of Analysis	Mar 03, 2025	P133964
E2329219	Certificate of Analysis	Mar 03, 2025	P133964
E2329197	Certificate of Analysis	Mar 03, 2025	P133964
E2329221	Certificate of Analysis	Mar 03, 2025	P133964
E2329218	Certificate of Analysis	Mar 03, 2025	P133964
E2329226	Certificate of Analysis	Mar 03, 2025	P133964
E2329217	Certificate of Analysis	Mar 03, 2025	P133964
E2329208	Certificate of Analysis	Mar 03, 2025	P133964
E2406187	Certificate of Analysis	Apr 10, 2024	P133964
E2406194	Certificate of Analysis	Apr 10, 2024	P133964
E2406495	Certificate of Analysis	Apr 10, 2024	P133964
E2406496	Certificate of Analysis	Apr 10, 2024	P133964
F2512253	Certificate of Analysis	Mar 18, 2024	P133964
C2406460	Certificate of Analysis	Mar 18, 2024	P133964
C2406461	Certificate of Analysis	Mar 18, 2024	P133964
C2406467	Certificate of Analysis	Mar 18, 2024	P133964
C2406468	Certificate of Analysis	Mar 18, 2024	P133964
C2406472	Certificate of Analysis	Mar 18, 2024	P133964
C2406473	Certificate of Analysis	Mar 18, 2024	P133964
K2104540	Certificate of Analysis	Aug 07, 2023	P133964
K2104542	Certificate of Analysis	Aug 07, 2023	P133964
G23041046	Certificate of Analysis	May 18, 2023	P133964
H2111052	Certificate of Analysis	May 12, 2023	P133964
G2429080	Certificate of Analysis	May 09, 2023	P133964
G2431113	Certificate of Analysis	May 09, 2023	P133964

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Chemical and Physical Properties

Solubility	Soluble in water.Soluble in methanol
Melt Point(°C)	135-138℃
Molecular Weight	146.140 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	146.037 Da
Monoisotopic Mass	146.037 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	200.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yang Wenjuan, Tang Sidi, Xu Rubing, Zhang Lu, Zhou Zihao, Yang Yong, Li Yanyan, Xiang Haibo. (2024) LC-MS based metabolomics identification of natural metabolites against Fusarium oxysporum. Frontiers in Plant Science, 15

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