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Atomfair Benzoic acid, 3,5-dibromo- C7H4Br2O2 CAS 618-58-6

3,5-Dibromobenzoic Acid (CAS No. 618-58-6) is a high-purity aromatic carboxylic acid derivative with the molecular formula C7H4Br2O2. This white to off-white crystalline powder is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive bromine substituents and carboxylic acid functionality. With a molecular weight of 279.91 g/mol, it offers excellent solubility in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), while being sparingly soluble in water. Each batch is rigorously tested via HPLC, NMR, and elemental analysis to ensure ≥98% purity, making it ideal for sensitive applications. Proper storage at 2-8°C in a tightly…

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Description

3,5-Dibromobenzoic Acid (CAS No. 618-58-6) is a high-purity aromatic carboxylic acid derivative with the molecular formula C7H4Br2O2. This white to off-white crystalline powder is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive bromine substituents and carboxylic acid functionality. With a molecular weight of 279.91 g/mol, it offers excellent solubility in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), while being sparingly soluble in water. Each batch is rigorously tested via HPLC, NMR, and elemental analysis to ensure ≥98% purity, making it ideal for sensitive applications. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

  • CAS Number: 618-58-6
  • Complexity: 151
  • IUPAC Name: 3,5-dibromobenzoic acid
  • InChI: InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
  • InChI Key: SFTFNJZWZHASAQ-UHFFFAOYSA-N
  • Exact Mass: 279.85576
  • Molecular Formula: C7H4Br2O2
  • Molecular Weight: 279.91
  • SMILES: C1=C(C=C(C=C1Br)Br)C(=O)O
  • Topological: 37.3
  • Monoisotopic Mass: 277.85780
  • Synonyms: 3,5-Dibromobenzoic acid, 618-58-6, BENZOIC ACID, 3,5-DIBROMO-, BRN 1940691, DTXSID60210800, 4-09-00-01028 (Beilstein Handbook Reference), DTXCID50133291, 628-687-8, Benzoicacid, 3,5-dibromo-, MFCD00051758, 3,5-Dibromobenzoicacid, Maybridge1_003318, 3,5-dibromo-benzoic acid, SCHEMBL8361, SCHEMBL2169888, SCHEMBL4162370, 3,5-Dibromobenzoic acid, 95%, HMS550O18, CS-M1190, STR06332, CK2212, SBB052702, AKOS005255111, AB02139, AC-7431, CCG-239898, PS-7239, SY006266, DB-022007, D2353, ST45026857, EN300-105788, AE-641/00128058, AE-848/30748005, InChI=1/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11

Application

3,5-Dibromobenzoic acid serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty polymers. Its bromine groups enable efficient electrophilic aromatic substitution reactions, while the carboxylic acid moiety allows for further derivatization via esterification or amidation. Researchers frequently employ it in Suzuki-Miyaura cross-coupling reactions to construct biaryl compounds. It is also used as a precursor for liquid crystals and corrosion inhibitors.

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 (98%): 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 (98%)

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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.

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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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