Description

Methyl 2-bromo-3-methylbutanoate (CAS No. 26330-51-8) is a high-purity organic compound with the molecular formula C₆H₁₁BrO₂. This versatile ester is widely utilized in synthetic organic chemistry, particularly as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive bromo and ester functional groups make it an excellent building block for nucleophilic substitution reactions, esterifications, and other transformations. The compound is supplied as a clear to pale yellow liquid with a characteristic ester odor, ensuring optimal performance in laboratory and industrial applications. Suitable for researchers and scientists, it is rigorously tested for purity and consistency, meeting the highest industry standards.

Properties

• CAS Number: 26330-51-8
• Complexity: 101
• IUPAC Name: methyl 2-bromo-3-methyl-butanoate
• InChI: InChI=1S/C6H11BrO2/c1-4(2)5(7)6(8)9-3/h4-5H,1-3H3
• InChI Key: CKDTYRDFEIGXNO-UHFFFAOYSA-N
• Exact Mass: 193.99424
• Molecular Formula: C6H11BrO2
• Molecular Weight: 195.05
• SMILES: CC(C)C(C(=O)OC)Br
• Topological: 26.3
• Monoisotopic Mass: 193.99424
• Synonyms: methyl 2-bromo-3-methylbutanoate, 828-615-7, Methyl 2-bromoisovalerate, 26330-51-8, Methyl 2-bromo-3-methylbutyrate, Butanoic acid, 2-bromo-3-methyl-, methyl ester, MFCD00798412, methyl2-bromoisovalerate, NSC21975, SCHEMBL1459718, DTXSID40281558, CKDTYRDFEIGXNO-UHFFFAOYSA-N, NSC-21975, AKOS006229761, Methyl 2-broMoisovalerate inverted exclamation mark inverted exclamation mark, GS-3331, SY102383, 2-Bromo-3-methylbutyric acid methyl ester, DB-007651, CS-0030485, EN300-28731, 70332-52-4

Methyl 2-bromo-3-methylbutanoate is commonly employed as a reagent in organic synthesis for the preparation of complex molecules, including active pharmaceutical ingredients (APIs). It serves as a precursor in the development of chiral compounds due to its stereogenic center. Additionally, it finds use in agrochemical research for the synthesis of herbicides and pesticides. Its reactivity also makes it valuable in material science for modifying polymer properties.

Safety and Hazards

GHS Hazard Statements

• H227 (100%): Combustible liquid [Warning Flammable liquids]
• H303 (100%): May be 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

• P210, P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (100%)
• Acute Tox. 5 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (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.