Atomfair Methyl 2-bromothiophene-3-carboxylate C6H5BrO2S CAS 76360-43-5

Description

Methyl 2-bromothiophene-3-carboxylate (CAS No. 76360-43-5) is a high-purity brominated thiophene derivative with the molecular formula C₆H₅BrO₂S. This compound is a valuable synthetic intermediate in organic chemistry and pharmaceutical research, featuring a reactive bromine substituent at the 2-position and an ester group at the 3-position of the thiophene ring. Its well-defined structure (IUPAC name: methyl 2-bromothiophene-3-carboxylate) makes it ideal for cross-coupling reactions, such as Suzuki or Stille couplings, as well as nucleophilic substitutions. Available in >98% purity (GC), it is supplied in sealed packaging under inert gas to ensure stability. Suitable for use in medicinal chemistry, material science, and agrochemical synthesis. Store in a cool, dry place away from light.

Properties

• CAS Number: 76360-43-5
• Complexity: 140
• IUPAC Name: methyl 2-bromothiophene-3-carboxylate
• InChI: InChI=1S/C6H5BrO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3
• InChI Key: ADKGOXMEPLSPNN-UHFFFAOYSA-N
• Exact Mass: 219.91936
• Molecular Formula: C6H5BrO2S
• Molecular Weight: 221.07
• SMILES: COC(=O)C1=C(SC=C1)Br
• Topological: 54.5
• Monoisotopic Mass: 219.91936
• Synonyms: Methyl 2-bromothiophene-3-carboxylate, 76360-43-5, DTXSID40693354, DTXCID80644103, MFCD16657906, 2-Bromo-thiophene-3-carboxylic acid methyl ester, Methyl-2-bromothiophene-3-carboxylate, 2-bromothiophene-3-carboxylic acid methyl ester, 3-Thiophenecarboxylic acid, 2-bromo-, methyl ester, SCHEMBL1450859, SCHEMBL29189393, ADKGOXMEPLSPNN-UHFFFAOYSA-N, Methyl2-bromothiophene-3-carboxylate, AKOS005266419, CS-W018777, methyl 2-bromo-3-thiophene carboxylate, AS-20089, SY113397, DB-075110, F10378

Application

Methyl 2-bromothiophene-3-carboxylate is widely used as a key building block in the synthesis of thiophene-based pharmaceuticals and functional materials. It serves as a precursor for palladium-catalyzed cross-coupling reactions to construct complex heterocyclic systems. Researchers also employ it in the development of organic semiconductors and conductive polymers due to its electron-rich thiophene core. Its bromine moiety allows further functionalization for targeted drug discovery projects.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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