Get FREE SHIPPING when you spend $99 or more | ATOMFAIR

Awaiting product image

Atomfair Benzene, 1-bromo-3,5-dimethyl- C8H9Br CAS 556-96-7

1-Bromo-3,5-dimethylbenzene (CAS No. 556-96-7) is a high-purity aromatic compound with the molecular formula C8H9Br. This halogenated derivative of m-xylene is a versatile intermediate in organic synthesis, pharmaceutical research, and material science applications. The compound features a benzene ring substituted with a bromine atom at the 1-position and methyl groups at the 3- and 5-positions, offering unique reactivity for electrophilic aromatic substitution and metal-catalyzed coupling reactions. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to prevent degradation. Available in quantities from grams to kilograms, it is ideal for researchers requiring…

Category:

Description

1-Bromo-3,5-dimethylbenzene (CAS No. 556-96-7) is a high-purity aromatic compound with the molecular formula C8H9Br. This halogenated derivative of m-xylene is a versatile intermediate in organic synthesis, pharmaceutical research, and material science applications. The compound features a benzene ring substituted with a bromine atom at the 1-position and methyl groups at the 3- and 5-positions, offering unique reactivity for electrophilic aromatic substitution and metal-catalyzed coupling reactions.

Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to prevent degradation. Available in quantities from grams to kilograms, it is ideal for researchers requiring a reliable building block for complex molecule synthesis. The bromine substituent provides an excellent handle for further functionalization via cross-coupling reactions (Suzuki, Stille, Negishi).

Key applications include: pharmaceutical intermediate synthesis, liquid crystal material development, and as a precursor for advanced organic frameworks. The compound’s crystalline form and well-defined melting point (34-36°C) make it particularly suitable for controlled reactions.

Properties

  • CAS Number: 556-96-7
  • Complexity: 80.6
  • IUPAC Name: 1-bromo-3,5-dimethyl-benzene
  • InChI: InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
  • InChI Key: LMFRTSBQRLSJHC-UHFFFAOYSA-N
  • Exact Mass: 183.98876
  • Molecular Formula: C8H9Br
  • Molecular Weight: 185.06
  • SMILES: CC1=CC(=CC(=C1)Br)C
  • Monoisotopic Mass: 183.98876
  • Synonyms: 5-Bromo-m-xylene, 556-96-7, Benzene, 1-bromo-3,5-dimethyl-, DTXSID00204142, DTXCID00126633, 629-686-5, 1-Bromo-3,5-dimethylbenzene, 3,5-Dimethylbromobenzene, m-Xylene, 5-bromo-, 5-BROMO-META-XYLENE, 1-bromo-3,5-dimethyl-benzene, 5-bromo-1,3-dimethylbenzene, 5-Bromo-1,3-xylene, 5 -bromo-m-xylene, MFCD00000087, 3,5-dimethyl-bromobenzene, 1,3-Dimethyl-5-bromobenzene, SCHEMBL219210, SCHEMBL249769, SCHEMBL457475, SCHEMBL16956410, 1-Bromo-3,5-dimethylbenzene #, STR09122, 1-Bromo-3,5-dimethylbenzene, 97%, AKOS005145662, AC-9668, CS-W016968, DB-011122, DB-253395, DB-356675, B1792, ST50405132, EN300-23824, F8889-9364, InChI=1/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H

Application

1-Bromo-3,5-dimethylbenzene serves as a key intermediate in pharmaceutical synthesis, particularly for creating active pharmaceutical ingredients with modified aromatic systems. In material science, it’s used to synthesize liquid crystal compounds and organic semiconductors due to its stable aromatic structure and bromine reactivity. The compound also finds application in metal-organic framework (MOF) development where its rigid structure acts as a spacer or functional group.

Safety and Hazards

GHS Hazard Statements

  • H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (93.6%): 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 (98.7%)
  • Eye Irrit. 2 (98.7%)
  • STOT SE 3 (93.6%)

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.

Reviews

There are no reviews yet.

Only logged in customers who have purchased this product may leave a review.

Related products