Description

4-Bromo-3-chlorotoluene (CAS No. 6627-51-6) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrCl and IUPAC name 1-bromo-2-chloro-4-methylbenzene. This organic intermediate features a toluene backbone substituted with bromine and chlorine at the 4- and 3-positions, respectively, offering unique reactivity for electrophilic substitution and coupling reactions. Supplied as a clear to pale yellow liquid (or low-melting solid depending on storage conditions), it is characterized by its distinct aromatic odor and insolubility in water but solubility in common organic solvents like ethanol, ether, and dichloromethane. Ideal for pharmaceutical synthesis, agrochemical development, and material science research, this compound is rigorously tested via GC/HPLC to ensure ≥98% purity (typical). Store in a tightly sealed container under inert atmosphere at 2-8°C to prevent decomposition. Hazard statements apply (H315-H319-H335).

Properties

• CAS Number: 6627-51-6
• Complexity: 94.9
• IUPAC Name: 1-bromo-2-chloro-4-methyl-benzene
• InChI: InChI=1S/C7H6BrCl/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
• InChI Key: SDTULEXOSNNGAW-UHFFFAOYSA-N
• Exact Mass: 203.93414
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.48
• SMILES: CC1=CC(=C(C=C1)Br)Cl
• Monoisotopic Mass: 203.93414
• Synonyms: 4-Bromo-3-chlorotoluene, DTXSID60216468, NSC 60109, DTXCID60138959, sdtulexosnngaw-uhfffaoysa-n, 6627-51-6, 1-Bromo-2-chloro-4-methylbenzene, 3-chloro-4-bromotoluene, MFCD00045161, BENZENE, 1-BROMO-2-CHLORO-4-METHYL-, NSC60109, 4-bromo-3-chloro-toluene, SCHEMBL507989, SCHEMBL8084088, NSC-60109, 1-Bromo-2-chloro-4-methylbenzene #, AKOS005145627, CS-W005025, AC-25918, AS-19106, SY017742, DB-054900, 1-Bromo-2-chloro-4-methylbenzene, AldrichCPR, EN300-101627, F14833, 4-bromo-3-chlorotoluene;1-bromo-2-chloro-4-methylbenzene

Application

4-Bromo-3-chlorotoluene serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions for synthesizing biaryl compounds in medicinal chemistry. It is employed in the development of liquid crystal materials and OLED intermediates due to its stable aromatic structure with halogen handles for further functionalization. Researchers also utilize this compound as a precursor for synthesizing agrochemicals such as herbicides and fungicides.

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