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Atomfair Bromopentamethylbenzene C11H15Br CAS 5153-40-2

Bromopentamethylbenzene (CAS No. 5153-40-2) is a high-purity aromatic brominated compound with the molecular formula C11H15Br. This specialty chemical features a benzene ring substituted with five methyl groups and a bromine atom, making it a valuable intermediate in organic synthesis and materials science. Its rigid structure and halogen functionality enable applications in cross-coupling reactions, polymer modification, and pharmaceutical research. Available in crystalline form with ≥98% purity, this compound is rigorously tested for consistency using HPLC, GC-MS, and NMR spectroscopy. Ideal for researchers requiring precise bromination or sterically hindered aromatic systems. Store in a cool, dry place under inert atmosphere to ensure…

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Description

Bromopentamethylbenzene (CAS No. 5153-40-2) is a high-purity aromatic brominated compound with the molecular formula C11H15Br. This specialty chemical features a benzene ring substituted with five methyl groups and a bromine atom, making it a valuable intermediate in organic synthesis and materials science. Its rigid structure and halogen functionality enable applications in cross-coupling reactions, polymer modification, and pharmaceutical research. Available in crystalline form with ≥98% purity, this compound is rigorously tested for consistency using HPLC, GC-MS, and NMR spectroscopy. Ideal for researchers requiring precise bromination or sterically hindered aromatic systems. Store in a cool, dry place under inert atmosphere to ensure long-term stability.

Properties

  • CAS Number: 5153-40-2
  • Complexity: 139
  • IUPAC Name: 1-bromo-2,3,4,5,6-pentamethyl-benzene
  • InChI: InChI=1S/C11H15Br/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3
  • InChI Key: XPDQRULPGCFCLX-UHFFFAOYSA-N
  • Exact Mass: 226.03571
  • Molecular Formula: C11H15Br
  • Molecular Weight: 227.14
  • SMILES: CC1=C(C(=C(C(=C1C)C)Br)C)C
  • Monoisotopic Mass: 226.03571
  • Synonyms: Bromopentamethylbenzene, 5153-40-2, 1-bromo-2,3,4,5,6-pentamethylbenzene, EINECS 225-926-4, DTXSID20199501, NSC 340, DTXCID10121992, 225-926-4, Pentamethylbromobenzene, Benzene, bromopentamethyl-, 1-Bromopentamethylbenzene, MFCD00013523, NSC340, Brompentamethylbenzol, 1-Bromo-2,3,4,5,6-pentamethyl-benzene, Maybridge1_002545, DivK1c_001297, SCHEMBL816717, HMS548L15, NSC-340, SBB097101, AKOS004907392, CS-W013011, CDS1_000257, 5-bromo-1,2,3,4,6-pentamethylbenzene, AS-11017, AS-81524, SY034558, DB-022979, NS00032298, ST50408744, 1-bromo-2,3,4,5,6-pentamethylbenzene (en)

Bromopentamethylbenzene serves as a key building block in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions for synthesizing complex organic architectures. Its steric hindrance makes it useful for studying reaction mechanisms in crowded molecular environments. The compound finds niche applications in liquid crystal development and as a precursor for advanced materials with tailored electronic properties.

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 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
  • H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

  • P261, P264, P264+P265, P271, P273, 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 (97.5%)
  • Aquatic Chronic 4 (97.5%)

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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.

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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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