Description

3-Bromo-3,3-difluoropropanoic acid (CAS No. 130312-65-1) is a high-purity fluorinated organic compound with the molecular formula C₃H₃BrF₂O₂. This versatile reagent is characterized by its bromo- and difluoro-substituted propanoic acid structure, making it a valuable building block for synthetic chemistry applications. It is supplied as a crystalline solid or solution, with strict quality control to ensure >98% purity (HPLC). Ideal for use in pharmaceutical intermediates, agrochemical synthesis, and material science research. Store in a cool, dry place away from light and moisture. Compatible with standard laboratory handling procedures.

Properties

• CAS Number: 130312-65-1
• Complexity: 103
• IUPAC Name: 3-bromo-3,3-difluoro-propanoic acid
• InChI: InChI=1S/C3H3BrF2O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)
• InChI Key: ZZUMEZGPHGRMFZ-UHFFFAOYSA-N
• Exact Mass: 187.92845
• Molecular Formula: C3H3BrF2O2
• Molecular Weight: 188.96
• SMILES: C(C(=O)O)C(F)(F)Br
• Topological: 37.3
• Monoisotopic Mass: 187.92845
• Synonyms: 3-Bromo-3,3-difluoropropanoic acid, 130312-65-1, DTXSID60563989, DTXCID70514765, 888-942-6, Propanoic acid, 3-bromo-3,3-difluoro-, SCHEMBL15284323, EN300-146856

Application

3-Bromo-3,3-difluoropropanoic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and bioactive molecules. The compound’s unique reactivity enables incorporation of difluoromethyl groups into target structures. Researchers utilize it for developing protease inhibitors and other therapeutic agents requiring fluorine substitution. Its bromine moiety also facilitates further functionalization via cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H227 (100%): Combustible liquid [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (100%)
• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Corr. 1B (100%)
• Acute Tox. 4 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.