Description

4-Bromo-2-fluorotoluene (CAS No. 51436-99-8) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrF. This versatile organic intermediate is widely used in pharmaceutical synthesis, agrochemical production, and advanced material research. With a purity of 99%, our product is rigorously tested via GC, NMR, and HPLC to ensure consistency for demanding applications. The compound features a bromo and fluoro substituent on a toluene backbone, offering unique reactivity for cross-coupling reactions (e.g., Suzuki-Miyaura) and nucleophilic substitutions. Packaged under inert gas in amber glass bottles with PTFE-lined caps to prevent degradation. Available in research quantities (1g-100g) and bulk scales (1kg+) with custom purity options upon request.

• Molecular Weight: 189.03 g/mol
• Boiling Point: 195-197°C
• Density: 1.518 g/cm³
• Refractive Index: n_D²⁰ 1.543
• Flash Point: 72°C

Properties

• CAS Number: 51436-99-8
• Complexity: 94.9
• IUPAC Name: 4-bromo-2-fluoro-1-methyl-benzene
• InChI: InChI=1S/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
• InChI Key: YZFVUQSAJMLFOZ-UHFFFAOYSA-N
• Exact Mass: 187.96369
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.02
• SMILES: CC1=C(C=C(C=C1)Br)F
• Monoisotopic Mass: 187.96369
• Synonyms: 4-Bromo-2-fluorotoluene, 51436-99-8, EINECS 257-201-3, DTXSID30199411, DTXCID60121902, 257-201-3, 4-Bromo-2-fluoro-1-methylbenzene, 2-Fluoro-4-bromotoluene, Benzene, 4-bromo-2-fluoro-1-methyl-, MFCD00013551, 56436-99-8, 4-BROMO-2-FLUORO-1-METHYL-BENZENE, 4-bromo-2-fluoro-toluene, 4- Bromo-2-fluorotoluene, UVQ369UZC2, SCHEMBL47042, 3-fluoro-4-methylbromobenzene, SCHEMBL1119531, SCHEMBL2094675, SCHEMBL2094677, 4-Bromo-2-fluorotoluene, 99%, 1-Bromo-3-fluoro-4-methylbenzene, BCP24545, AC-168, SBB090880, 4-Bromo-2-fluoro-1-methylbenzene #, AKOS005145625, CS-W015977, FB34443, AS-12627, SY004432, DB-024104, DB-024136, A7583, B1716, NS00056119, ST50406369, EN300-182699, InChI=1/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H

4-Bromo-2-fluorotoluene serves as a key building block in medicinal chemistry for constructing fluorinated drug candidates, particularly CNS-active compounds. The bromo group enables palladium-catalyzed cross-coupling reactions to create biaryl structures, while the electron-withdrawing fluoro substituent directs subsequent functionalization. In material science, it’s used to synthesize liquid crystals and OLED intermediates. The compound’s stability makes it ideal for multi-step synthetic routes requiring orthogonal reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. 4 (86%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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