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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-(5-chlorothiophen-2-yl)benzoic acid

[O-]C(=O)c1ccc(cc1)c1ccc(s1)Cl.[Na+] Request for Quotation
Chemical Name: 4-(5-chlorothiophen-2-yl)benzoic acid
CAS Number: 290326-23-7
Product Number: AG002V9X(AGN-PC-08YRZO)
Synonyms:
MDL No:
Molecular Formula: C11H6ClNaO2S
Molecular Weight: 260.6719

Identification/Properties

Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
238.685g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
237.986g/mol
Monoisotopic Mass:
237.986g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Sodium 4-(5-chlorothiophen-2-yl)benzoate is a versatile compound commonly used in chemical synthesis for its unique reactivity and functional properties. In organic chemistry, this compound serves as a key building block for the preparation of various pharmaceuticals, agrochemicals, and materials.It can be employed as a coupling reagent in the formation of C-C and C-N bonds, making it valuable in the synthesis of complex organic molecules. Additionally, Sodium 4-(5-chlorothiophen-2-yl)benzoate is often utilized in the preparation of heterocyclic compounds, which are essential in drug discovery and development.Its ability to undergo diverse chemical transformations, such as nucleophilic substitution and palladium-catalyzed coupling reactions, makes it an indispensable tool for organic chemists in designing and synthesizing novel compounds with desired properties. Furthermore, its water-soluble sodium salt form enhances its compatibility in aqueous reactions and facilitates its use in various synthetic methodologies.Overall, Sodium 4-(5-chlorothiophen-2-yl)benzoate plays a crucial role in modern organic synthesis, enabling researchers to access a wide range of structurally complex molecules for applications in pharmaceuticals, materials science, and beyond.