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Atomfair 1-Bromo-2,3-dichloro-5-methylbenzene C7H5BrCl2 CAS 960305-14-0

1-Bromo-2,3-dichloro-5-methylbenzene (CAS No. 960305-14-0) is a high-purity halogenated aromatic compound with the molecular formula C7H5BrCl2. This specialized chemical is characterized by its bromo- and dichloro-substituted toluene structure, making it a valuable intermediate in synthetic organic chemistry and materials science. With a molecular weight of 240.93 g/mol, this compound is supplied as a crystalline solid or powder, typically with purity levels ≥95% (GC). Its unique substitution pattern offers regioselective reactivity for cross-coupling reactions, electrophilic substitutions, and as a building block for advanced agrochemicals or pharmaceutical active ingredients. The compound is packaged under inert gas to ensure stability and is available in…

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Description

1-Bromo-2,3-dichloro-5-methylbenzene (CAS No. 960305-14-0) is a high-purity halogenated aromatic compound with the molecular formula C7H5BrCl2. This specialized chemical is characterized by its bromo- and dichloro-substituted toluene structure, making it a valuable intermediate in synthetic organic chemistry and materials science. With a molecular weight of 240.93 g/mol, this compound is supplied as a crystalline solid or powder, typically with purity levels ≥95% (GC). Its unique substitution pattern offers regioselective reactivity for cross-coupling reactions, electrophilic substitutions, and as a building block for advanced agrochemicals or pharmaceutical active ingredients. The compound is packaged under inert gas to ensure stability and is available in research quantities up to bulk scale. Handling requires standard halogenated aromatic precautions – use in a fume hood with appropriate PPE.

Properties

  • CAS Number: 960305-14-0
  • Complexity: 118
  • IUPAC Name: 1-bromo-2,3-dichloro-5-methyl-benzene
  • InChI: InChI=1S/C7H5BrCl2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
  • InChI Key: CEOHKQQUAYAZNB-UHFFFAOYSA-N
  • Exact Mass: 237.89517
  • Molecular Formula: C7H5BrCl2
  • Molecular Weight: 239.92
  • SMILES: CC1=CC(=C(C(=C1)Br)Cl)Cl
  • Monoisotopic Mass: 237.89517
  • Synonyms: 960305-14-0, 1-bromo-2,3-dichloro-5-methylbenzene, 849-496-8, 3-Bromo-4,5-dichlorotoluene, MFCD26792624, SCHEMBL3930536, 1-Bromo-2,3-dichloro-5-toluene, CL9733, AKOS026672358, FS-4529, SY244137, DB-162321, CS-0153360

Application

This compound serves as a versatile intermediate in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to create complex biaryl structures. Researchers utilize its selective halogen substitution pattern for sequential functionalization in medicinal chemistry programs. The methyl group provides additional modification sites for developing specialized ligands or functional materials. In material science, it finds application as a precursor for liquid crystals and organic electronic materials.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): 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

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

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • 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).

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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