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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, 4-bromo-

OC(=O)c1cc(cs1)Br Request for Quotation
Chemical Name: 2-Thiophenecarboxylic acid, 4-bromo-
CAS Number: 16694-18-1
Product Number: AG001X0H(AGN-PC-0JTR3Y)
Synonyms:
MDL No: MFCD03422294
Molecular Formula: C5H3BrO2S
Molecular Weight: 207.0451

Identification/Properties

Properties
MP:
121 °C
BP:
323.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
207.041g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
205.904g/mol
Monoisotopic Mass:
205.904g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
128
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Bromo-2-thiophenecarboxylic acid is a versatile compound widely used in chemical synthesis for various applications. This compound plays a crucial role as a building block in the synthesis of pharmaceuticals, agrochemicals, and materials science. Due to its unique structure and reactivity, 4-Bromo-2-thiophenecarboxylic acid serves as a key intermediate in the creation of diverse functional molecules.In pharmaceutical synthesis, this compound is utilized in the development of novel drug candidates and active pharmaceutical ingredients. Its incorporation into the molecular structure of pharmaceutical compounds imparts specific biological activities and enhances drug efficacy. Additionally, the presence of the bromine and thiophene functionalities in 4-Bromo-2-thiophenecarboxylic acid enables the introduction of desired functional groups through further chemical modifications, allowing for the synthesis of tailored pharmaceuticals with improved pharmacokinetic properties.In agrochemical synthesis, 4-Bromo-2-thiophenecarboxylic acid serves as a valuable precursor in the production of crop protection chemicals and agricultural additives. The reactivity of this compound allows for the construction of pesticide and herbicide molecules with enhanced potency and selectivity, contributing to efficient crop protection and agricultural sustainability.Moreover, in materials science, 4-Bromo-2-thiophenecarboxylic acid is employed in the fabrication of advanced materials such as conducting polymers, organic semiconductors, and liquid crystals. By incorporating this compound into the polymer backbone or molecular structure, researchers can tailor the electronic and optical properties of the resulting materials, paving the way for applications in optoelectronics, sensors, and displays.Overall, the strategic utility of 4-Bromo-2-thiophenecarboxylic acid in chemical synthesis underscores its significance as a versatile building block with profound implications in pharmaceutical, agrochemical, and materials research and development.