Description

3-Bromo-4-fluorotoluene (CAS No. 452-62-0) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrF. This versatile intermediate is widely used in organic synthesis, pharmaceuticals, and agrochemical research due to its reactive bromo and fluoro substituents on the toluene backbone. With a purity of ≥99%, our product is rigorously tested via GC, NMR, and HPLC to ensure consistency for demanding applications. It is supplied as a clear to pale-yellow liquid with a characteristic aromatic odor, packaged under inert gas to maintain stability. Ideal for Suzuki couplings, nucleophilic substitutions, and as a building block in medicinal chemistry.

Key Features:

• CAS: 452-62-0 | Molecular Weight: 189.03 g/mol
• Boiling Point: ~195-198°C | Density: ~1.49 g/cm³
• Storage: 2-8°C in a tightly sealed container, away from light
• Hazard Codes: Xi (Irritant) | GHS Pictograms: Exclamation Mark

Properties

• CAS Number: 452-62-0
• Complexity: 94.9
• IUPAC Name: 2-bromo-1-fluoro-4-methyl-benzene
• InChI: InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
• InChI Key: QLRKALMVPCQTMU-UHFFFAOYSA-N
• Exact Mass: 187.96369
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.02
• SMILES: CC1=CC(=C(C=C1)F)Br
• Monoisotopic Mass: 187.96369
• Synonyms: 3-Bromo-4-fluorotoluene, 452-62-0, 2-bromo-1-fluoro-4-methylbenzene, Benzene, 2-bromo-1-fluoro-4-methyl-, SNF4C42NWZ, EINECS 207-201-4, NSC-88313, 2-fluoro-5-methylbromobenzene, DTXSID30196420, 1-bromo-2-fluoro-5-methylbenzene, 5-METHYL-2-FLUOROBROMOBENZENE, NSC 88313, TOLUENE, 3-BROMO-4-FLUORO-, 2-FLUORO-5-METHYL-1-BROMOBENZENE, DTXCID40118911, 207-201-4, MFCD00040827, 4-fluoro-3-bromotoluene, 3-bromo-4-fluoro toluene, 2-bromo-1-fluoro-4-methyl-benzene, 3-bromo-4-fluoro-toluene, NSC88313, 3-Bromo-4-fluotoluene, UNII-SNF4C42NWZ, NCIOpen2_001565, SCHEMBL80216, SCHEMBL1376758, SCHEMBL11132858, SCHEMBL18585315, SCHEMBL20562974, SCHEMBL29076221, 3-Bromo-4-fluorotoluene, 99%, AAA45262, SBB090881, AKOS005145620, AC-9816, CS-W015976, AS-11621, BP-12625, SY016043, DB-024054, B1945, NS00043977, ST50405286, EN300-28934, Z278206772, InChI=1/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H

3-Bromo-4-fluorotoluene serves as a critical precursor in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and CNS-active compounds. Its dual functionality enables selective cross-coupling reactions (e.g., Buchwald-Hartwig amination) for constructing complex heterocycles. Researchers also utilize it in material science to develop liquid crystals and OLED intermediates. Handle with standard aryl halide precautions under fume hood conditions.

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 (97.9%): 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 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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