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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)-

2-Thiophenecarboxylic acid, 3-bromo-5-methyl-

Cc1cc(c(s1)C(=O)O)Br Request for Quotation
Chemical Name: 2-Thiophenecarboxylic acid, 3-bromo-5-methyl-
CAS Number: 61285-29-8
Product Number: AG00IAU0(AGN-PC-0JWIUS)
Synonyms:
MDL No:
Molecular Formula: C6H5BrO2S
Molecular Weight: 221.0717

Identification/Properties

Properties
MP:
205-206℃(Solv: ethanol (64-17-5); water (7732-18-5))
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
221.068g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
219.919g/mol
Monoisotopic Mass:
219.919g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
151
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


3-Bromo-5-methylthiophene-2-carboxylic acid is a versatile chemical compound commonly used in chemical synthesis for its unique properties and reactivity. This compound serves as a valuable building block in the synthesis of various organic molecules, particularly in the pharmaceutical and agrochemical industries.One key application of 3-Bromo-5-methylthiophene-2-carboxylic acid is in the development of novel pharmaceutical compounds. Due to its structural features, this compound can be utilized as a precursor in the synthesis of biologically active molecules with potential medicinal properties. By introducing functional groups to the thiophene ring, medicinal chemists can modulate the pharmacological properties of the final drug candidates, enhancing their efficacy and reducing potential side effects.Moreover, 3-Bromo-5-methylthiophene-2-carboxylic acid plays a crucial role in agrochemical research and development. It can be employed in the design and synthesis of new crop protection agents, herbicides, and pesticides. By incorporating the carboxylic acid moiety and bromine substituent into the molecular structure, chemists can enhance the bioavailability and target specificity of agrochemical products, ultimately improving crop yield and plant health.Additionally, this compound can be used in material science for the preparation of conducting polymers, functional materials, and organic electronics. Its electron-rich thiophene core enables the formation of conjugated systems that exhibit semiconducting properties, making it a valuable component in the production of electronic devices such as organic light-emitting diodes (OLEDs) and organic photovoltaic cells.Overall, 3-Bromo-5-methylthiophene-2-carboxylic acid is a versatile and essential compound in chemical synthesis, playing a pivotal role in the development of pharmaceuticals, agrochemicals, and advanced materials with diverse applications in various industries.