Description
Ethyl 8-bromooctanoate (CAS: 29823-21-0) is a high-purity organic compound with the molecular formula C10H19BrO2. This versatile ester is widely utilized in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. It features an 8-carbon alkyl chain terminated by a bromine atom and an ethyl ester group, making it a valuable intermediate for nucleophilic substitution reactions, coupling reactions, and polymer synthesis. Available in >98% purity, this product is rigorously tested via GC, NMR, and HPLC to ensure consistency for research and industrial applications. Suitable for use in controlled environments, it is packaged under inert conditions to maintain stability.
Properties
- CAS Number: 29823-21-0
- Complexity: 126
- IUPAC Name: ethyl 8-bromooctanoate
- InChI: InChI=1S/C10H19BrO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3
- InChI Key: UBTQVPMVWAEGAC-UHFFFAOYSA-N
- Exact Mass: 250.05684
- Molecular Formula: C10H19BrO2
- Molecular Weight: 251.16
- SMILES: CCOC(=O)CCCCCCCBr
- Topological: 26.3
- Monoisotopic Mass: 250.05684
- Synonyms: Ethyl 8-bromooctanoate, DTXSID10295187, DTXCID00246325, 608-417-5, 29823-21-0, 8-Bromooctanoic acid ethyl ester, Ethyl 8-bromoocatanoate, 8-Bromo-octanoic acid ethyl ester, Ethyl-8-bromooctanoate, MFCD00045057, 8-Caprylic acid ethyl ester, 8-bromocaprylic acid ethyl ester, Octanoic acid, 8-bromo-, ethyl ester, ETHYL omega-BROMOOCTANOATE, 8-Bromocaprylic Acid Ethyl Ester; 8-Bromooctanoic Acid Ethyl Ester; NSC 100182;, Ethyl8-bromooctanoate, ethyl 8-bromo-octanoate, Ethyl 8-bromooctanoate #, NCIOpen2_007067, SCHEMBL1065692, 8-Bromooctanoic acid, ethyl ester, CS-D1735, NSC100182, AKOS015836156, FE45731, GS-3515, NSC 100182, NSC-100182, BP-14129, SY031617, DB-047658, EN300-7380212
Ethyl 8-bromooctanoate serves as a key building block in organic synthesis, enabling the introduction of bromoalkyl chains into target molecules. Researchers employ it in peptide modifications, lipid conjugations, and as a precursor for surfactants or lubricant additives. Its reactivity in Pd-catalyzed cross-coupling reactions (e.g., Suzuki or Heck reactions) makes it valuable for pharmaceutical development. Additionally, it is used in polymer science to functionalize materials with bromine-terminated alkyl groups.
Safety and Hazards
GHS Hazard Statements
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Skin Irrit. 2 (100%)
- Eye Irrit. 2 (100%)
- STOT SE 3 (75%)
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