Description

(2E)-4-bromobut-2-enoic acid (CAS No. 13991-36-1) is a high-purity organic compound with the molecular formula C₄H₅BrO₂. This brominated unsaturated carboxylic acid is widely utilized in synthetic organic chemistry, pharmaceutical research, and material science due to its reactive vinyl bromide and carboxyl functional groups. With a minimum purity of 98%, it is supplied as a white to off-white crystalline powder, ensuring consistency for critical applications. Its well-defined structure makes it an ideal intermediate for cross-coupling reactions, such as Suzuki-Miyaura and Heck couplings, as well as a precursor for bioactive molecules. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 13991-36-1
• Complexity: 87.7
• IUPAC Name: (E)-4-bromobut-2-enoic acid
• InChI: InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+
• InChI Key: DOTGZROJTAUYFQ-OWOJBTEDSA-N
• Exact Mass: 163.94729
• Molecular Formula: C4H5BrO2
• Molecular Weight: 164.99
• SMILES: C(/C=C/C(=O)O)Br
• Topological: 37.3
• Monoisotopic Mass: 163.94729
• Synonyms: (2E)-4-bromobut-2-enoic acid, 678-082-8, 4-Bromocrotonic acid, 13991-36-1, (E)-4-bromobut-2-enoic acid, 2-Butenoic acid, 4-bromo-, (2E)-, 4-bromobut-2-enoic acid, (E)-4-Bromocrotonic Acid, 20629-35-0, GAMMA-BROMOCROTONIC ACID, trans-4-Bromo-2-butenoic Acid, 2-Butenoic acid, 4-bromo-, MFCD00082701, 4-BROMOCROTONICACID, (2E)-4-Bromo-2-butenoic acid, 2-Butenoic acid, 4-bromo-, (E)-, 4-Bromo crotonic acid, SCHEMBL26710, (E)-4-bromobut-2-enoicacid, (E)-4-Bromo-but-2-enoic acid, DTXSID80878724, 4-Bromocrotonic acid – min 98%, BCP11140, AKOS015831319, (2E) -4- Bromo- 2- butenoic acid, FB46446, AC-30328, AS-19617, DB-006729, B2298, CS-0020044, CS-0356597, EN300-98902, EN300-305575

(2E)-4-bromobut-2-enoic acid serves as a versatile building block in medicinal chemistry for synthesizing analogs with potential therapeutic activity. It is employed in polymer science to modify acrylic derivatives, enhancing material properties. Researchers also use it in palladium-catalyzed reactions to construct complex organic frameworks.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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