Description

2-Bromo-4-chlorotoluene (CAS No. 27139-97-5) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrCl. This versatile organic intermediate is widely used in pharmaceutical synthesis, agrochemical manufacturing, and advanced material research. The compound features a toluene backbone substituted with bromine and chlorine at the 2- and 4-positions respectively, offering unique reactivity for cross-coupling reactions and other transformations. Our product is rigorously tested to ensure ≥98% purity (GC), with strict quality control for moisture content and heavy metals. Supplied in amber glass bottles under inert atmosphere to ensure stability, this reagent is ideal for Suzuki-Miyaura couplings, Grignard reactions, and as a building block for liquid crystals or OLED materials. Technical specifications include molecular weight of 205.48 g/mol, boiling point of 230-232°C, and density of 1.54 g/cm³ at 25°C.

Properties

• CAS Number: 27139-97-5
• Complexity: 94.9
• IUPAC Name: 2-bromo-4-chloro-1-methyl-benzene
• InChI: InChI=1S/C7H6BrCl/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
• InChI Key: CSUUXPHPCXHYGY-UHFFFAOYSA-N
• Exact Mass: 203.93414
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.48
• SMILES: CC1=C(C=C(C=C1)Cl)Br
• Monoisotopic Mass: 203.93414
• Synonyms: 2-Bromo-4-chlorotoluene, 27139-97-5, 2-Bromo-4-chloro-1-methylbenzene, DTXSID20346139, DTXCID60297212, 608-052-1, Benzene, 2-bromo-4-chloro-1-methyl-, MFCD00060650, 4-CHLORO-2-BROMOTOLUENE, Toluene, 2-bromo-4-chloro-, p-Chlor(Brom)toluol, 2-bromo-4-chloro toluene, 2-bromo-4-chloro-toluene, SCHEMBL189010, 2-bromo-4-chloro-methylbenzene, SCHEMBL6554071, 2-Bromo-4-chloro-1-methylbenzene #, AKOS005258015, CS-W002280, FB64647, AS-19444, SY017003, DB-023865, B3031, ST50826810, 2-Bromo-4-chloro-1-methylbenzene, AldrichCPR, EN300-191955

2-Bromo-4-chlorotoluene serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and crop protection agents. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to construct complex biaryl systems. In material science, it finds application as a precursor for liquid crystal compounds and organic electronic materials. The presence of both bromine and chlorine substituents allows for selective functionalization, making it valuable for sequential modification strategies.

Safety and Hazards

GHS Hazard Statements

• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.5%): 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 (97.9%)
• Eye Irrit. 2 (97.9%)
• STOT SE 3 (87.5%)

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