Description

5-Bromo-2-fluorotoluene (CAS No. 51437-00-4) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrF. This specialized chemical, also known as 4-bromo-1-fluoro-2-methylbenzene, is a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structure, featuring both bromine and fluorine substituents on a toluene backbone, makes it an essential building block for cross-coupling reactions, nucleophilic substitutions, and the development of advanced materials.

Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal for researchers in medicinal chemistry, agrochemical development, and material science, this compound is available in quantities ranging from grams to kilograms with customizable packaging options.

Key identifiers:

• Molecular Weight: 189.03 g/mol
• Boiling Point: 195-197°C
• Density: 1.492 g/cm³
• Refractive Index: n_D²⁰ 1.534

Properties

• CAS Number: 51437-00-4
• Complexity: 94.9
• IUPAC Name: 4-bromo-1-fluoro-2-methyl-benzene
• InChI: InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
• InChI Key: VXKYOKPNAXNAFU-UHFFFAOYSA-N
• Exact Mass: 187.96369
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.02
• SMILES: CC1=C(C=CC(=C1)Br)F
• Monoisotopic Mass: 187.96369
• Synonyms: 5-Bromo-2-fluorotoluene, 51437-00-4, 4-Bromo-1-fluoro-2-methylbenzene, EINECS 257-202-9, DTXSID90199412, DTXCID20121903, 257-202-9, 2-Fluoro-5-Bromotoluene, Benzene, 4-bromo-1-fluoro-2-methyl-, MFCD00000343, 4-bromo-1-fluoro-2-methyl-benzene, 2-fluoro-5-bromo-toluene, 5-Bromo-2-fluoro-toluene, SCHEMBL13470, SCHEMBL1418878, SCHEMBL21550073, 5-Bromo-2-fluorotoluene, 97%, AC7936, SBB090877, 4-Bromo-1-fluoro-2-methylbenzene #, AKOS000121867, AC-6886, CS-W015978, FB70857, SY016326, DB-024105, B1679, NS00056515, ST50405489, EN300-28933, InChI=1/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H

Application

5-Bromo-2-fluorotoluene serves as a versatile precursor in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions for pharmaceutical intermediates. The compound’s fluorine moiety enhances bioavailability in drug development, while the bromine atom provides an excellent leaving group for nucleophilic aromatic substitutions. Researchers utilize this chemical in the synthesis of liquid crystal materials and as a scaffold for PET radiotracer development.

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 (97.8%): 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 (97.8%)

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.