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Atomfair Methyl 4-Bromo-3-(bromomethyl)benzoate C9H8Br2O2 CAS 142031-67-2

Methyl 4-Bromo-3-(bromomethyl)benzoate (CAS No. 142031-67-2) is a high-purity brominated aromatic ester with the molecular formula C9H8Br2O2. This compound is a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. Its structure features both a bromomethyl and a bromo substituent on a benzoate ring, enabling selective functionalization for cross-coupling reactions, nucleophilic substitutions, and polymer modifications. Ideal for researchers and industrial chemists, our product is rigorously tested for purity and consistency, ensuring reliable performance in demanding applications. Available in various quantities with detailed analytical data (GC/HPLC, NMR) upon request.

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Description

Methyl 4-Bromo-3-(bromomethyl)benzoate (CAS No. 142031-67-2) is a high-purity brominated aromatic ester with the molecular formula C9H8Br2O2. This compound is a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. Its structure features both a bromomethyl and a bromo substituent on a benzoate ring, enabling selective functionalization for cross-coupling reactions, nucleophilic substitutions, and polymer modifications. Ideal for researchers and industrial chemists, our product is rigorously tested for purity and consistency, ensuring reliable performance in demanding applications. Available in various quantities with detailed analytical data (GC/HPLC, NMR) upon request.

Properties

  • CAS Number: 142031-67-2
  • Complexity: 184
  • IUPAC Name: methyl 4-bromo-3-(bromomethyl)benzoate
  • InChI: InChI=1S/C9H8Br2O2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
  • InChI Key: GRJDNFSKEWOMIM-UHFFFAOYSA-N
  • Exact Mass: 307.88706
  • Molecular Formula: C9H8Br2O2
  • Molecular Weight: 307.97
  • SMILES: COC(=O)C1=CC(=C(C=C1)Br)CBr
  • Topological: 26.3
  • Monoisotopic Mass: 305.88910
  • Synonyms: Methyl 4-bromo-3-(bromomethyl)benzoate, 142031-67-2, DTXSID00466667, DTXCID90417486, 813-169-8, 4-BROMO-3-BROMOMETHYL-BENZOIC ACID METHYL ESTER, Benzoic acid, 4-bromo-3-(bromomethyl)-, methyl ester, MFCD11858300, SCHEMBL256770, GRJDNFSKEWOMIM-UHFFFAOYSA-N, SFA03167, methyl 4-bromo-3-bromomethylbenzoate, AKOS024261250, Methyl4-bromo-3-(bromomethyl)benzoate, CS-W000693, DS-8645, SB33487, SY240405, DB-063413, EN300-259999

Application

Methyl 4-Bromo-3-(bromomethyl)benzoate serves as a key building block in medicinal chemistry for the synthesis of bioactive molecules and drug candidates. It is also employed in material science for modifying polymers and creating flame-retardant additives. Its dual bromine functionality allows for sequential derivatization in multi-step synthetic routes.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

If you are interested or have any questions, please contact us at support@atomfair.com

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).

Patent & Regulatory Compliance

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.

Liability Release

By purchasing, the buyer agrees to:

  • 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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