Description

3-Bromo-5-chlorotoluene (CAS No. 329944-72-1) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrCl. This derivative of toluene features both bromine and chlorine substituents at the 3 and 5 positions of the benzene ring, respectively, making it a versatile intermediate for advanced organic synthesis. Its IUPAC name, 1-bromo-3-chloro-5-methylbenzene, reflects its precise structural configuration. With a molecular weight of 205.48 g/mol, this compound is characterized by its clear to pale yellow liquid form under standard conditions, though it may solidify at lower temperatures. Ideal for pharmaceutical, agrochemical, and materials science research, our 3-Bromo-5-chlorotoluene is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, light-resistant containers to maintain stability. Available in quantities ranging from grams to kilograms, it is suitable for cross-coupling reactions (e.g., Suzuki, Stille), electrophilic substitutions, and as a building block for complex molecules. Handle with care in a fume hood—potential lachrymator and irritant.

Properties

• CAS Number: 329944-72-1
• Complexity: 94.9
• IUPAC Name: 1-bromo-3-chloro-5-methyl-benzene
• InChI: InChI=1S/C7H6BrCl/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
• InChI Key: YRIKDGJWRMHTJP-UHFFFAOYSA-N
• Exact Mass: 203.93414
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.48
• SMILES: CC1=CC(=CC(=C1)Br)Cl
• Monoisotopic Mass: 203.93414
• Synonyms: 3-Bromo-5-chlorotoluene, 329944-72-1, DTXSID70444715, DTXCID70395536, 810-589-3, 1-Bromo-3-chloro-5-methylbenzene, Benzene, 1-bromo-3-chloro-5-methyl-, MFCD08437596, 1-Bromo-3-chloro-5-methylbenzene; 3-Chloro-5-methyl-bromobenzene;, 5-bromo-3-chlorotoluene, 5-Chlor-3-brom-toluol, 3-Chloro-5-bromo-toluene, SCHEMBL455963, SCHEMBL457285, SCHEMBL811083, SCHEMBL1637718, SCHEMBL7765122, YRIKDGJWRMHTJP-UHFFFAOYSA-N, CL8828, Benzene,1-bromo-3-chloro-5-methyl-, AKOS015834246, AB45173, DS-1686, SY020699, CS-0030598, EN300-243695

Application

3-Bromo-5-chlorotoluene serves as a critical intermediate in the synthesis of specialty chemicals, including pharmaceuticals (e.g., kinase inhibitors) and crop protection agents. Its dual halogen functionality enables selective functionalization via metal-catalyzed cross-coupling reactions, such as Buchwald-Hartwig amination or Sonogashira coupling. Researchers also employ it to construct liquid crystal materials and OLED precursors, leveraging its rigid aromatic core. In material science, it acts as a monomer for engineered polymers with tailored thermal and electronic properties.

Safety and Hazards

GHS Hazard Statements

• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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. 3 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• STOT SE 3 (50%)
• Aquatic Chronic 4 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.