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Atomfair Ethyl 5-bromo-2-chlorobenzoate C9H8BrClO2 CAS 76008-73-6

Ethyl 5-bromo-2-chlorobenzoate (CAS No. 76008-73-6) is a high-purity organic ester compound with the molecular formula C9H8BrClO2. This halogenated benzoate derivative is a valuable intermediate in pharmaceutical and agrochemical synthesis, offering excellent reactivity for further functionalization. The compound features a bromo- and chloro-substituted aromatic ring coupled with an ethyl ester group, making it ideal for nucleophilic substitution and cross-coupling reactions. Available in >98% purity (HPLC), it is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Suitable for research-scale applications, medicinal chemistry, and material science. Store under inert conditions at 2-8°C to maintain stability.

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Description

Ethyl 5-bromo-2-chlorobenzoate (CAS No. 76008-73-6) is a high-purity organic ester compound with the molecular formula C9H8BrClO2. This halogenated benzoate derivative is a valuable intermediate in pharmaceutical and agrochemical synthesis, offering excellent reactivity for further functionalization. The compound features a bromo- and chloro-substituted aromatic ring coupled with an ethyl ester group, making it ideal for nucleophilic substitution and cross-coupling reactions. Available in >98% purity (HPLC), it is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Suitable for research-scale applications, medicinal chemistry, and material science. Store under inert conditions at 2-8°C to maintain stability.

Properties

  • CAS Number: 76008-73-6
  • Complexity: 186
  • IUPAC Name: ethyl 5-bromo-2-chloro-benzoate
  • InChI: InChI=1S/C9H8BrClO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
  • InChI Key: AMGWDYLEMSMUIO-UHFFFAOYSA-N
  • Exact Mass: 261.93962
  • Molecular Formula: C9H8BrClO2
  • Molecular Weight: 263.51
  • SMILES: CCOC(=O)C1=C(C=CC(=C1)Br)Cl
  • Topological: 26.3
  • Monoisotopic Mass: 261.93962
  • Synonyms: Ethyl 5-bromo-2-chlorobenzoate, 76008-73-6, Benzoic acid, 5-bromo-2-chloro-, ethyl ester, DTXSID90226919, DTXCID70149410, 616-279-2, amgwdylemsmuio-uhfffaoysa-n, 5-Bromo-2-chlorobenzoic Acid Ethyl Ester, MFCD00013635, SCHEMBL320371, Ethyl-5-bromo-2-chlorobenzoate, a-Ethyl 5-bromo-2-chlorobenzoate, STR08019, SBB053793, AKOS007930047, AC-3905, CS-W012459, Ethyl 5-Bromo-2-chlorobenzoate, 98%, PS-7346, 3-bromo-6-chlorobenzoic acid ethyl ester, SY012257, 5-Bromo-2-chloro-benzoic acid ethyl ester, 5-bromo-2-chloro-benzoic acid, ethyl ester, DB-013530, B2255, NS00037748, ST50307301, N10376

Application

Ethyl 5-bromo-2-chlorobenzoate serves as a versatile building block in organic synthesis, particularly in the preparation of active pharmaceutical ingredients (APIs) and liquid crystal materials. Its dual halogen functionality enables selective Suzuki-Miyaura or Buchwald-Hartwig coupling reactions. Researchers utilize this compound to develop novel benzodiazepine analogs and herbicide intermediates. The ethyl ester group facilitates hydrolysis or transesterification for downstream derivatization.

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 (100%): 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 (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.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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