Description

2-Bromo-3-fluorotoluene (CAS: 59907-13-0) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrF. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique reactivity as a building block for complex molecular structures. The compound features a bromo and fluoro substituent on a toluene backbone, enabling selective functionalization in cross-coupling reactions (e.g., Suzuki, Stille) and nucleophilic substitutions. Available in ≥98% purity (GC), it is rigorously tested for consistency and packaged under inert conditions to ensure stability. Ideal for researchers developing agrochemicals, liquid crystals, or active pharmaceutical ingredients (APIs).

Key Attributes:

• CAS: 59907-13-0 | Molecular Weight: 189.03 g/mol
• Boiling Point: ~195-198°C | Density: ~1.49 g/cm³
• Appearance: Clear colorless to pale yellow liquid
• Storage: 2-8°C in sealed amber glass vials
• Hazard Codes: Xi (Irritant) – Handle with PPE

Properties

• CAS Number: 59907-13-0
• Complexity: 94.9
• IUPAC Name: 2-bromo-1-fluoro-3-methyl-benzene
• InChI: InChI=1S/C7H6BrF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
• InChI Key: FYCXRRYRNRDSRM-UHFFFAOYSA-N
• Exact Mass: 187.96369
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.02
• SMILES: CC1=C(C(=CC=C1)F)Br
• Monoisotopic Mass: 187.96369
• Synonyms: 2-Bromo-3-fluorotoluene, 59907-13-0, 2-bromo-1-fluoro-3-methylbenzene, EINECS 261-982-6, DTXSID80208628, DTXCID30131119, 261-982-6, MFCD08458010, Benzene, 2-bromo-1-fluoro-3-methyl-, SCHEMBL2263095, SCHEMBL2289049, SCHEMBL9099170, SCHEMBL28429175, BBL101959, SBB090874, STL555756, AKOS005145623, AC-2349, CS-W008540, DS-14277, SY011617, DB-024157, NS00055490, EN300-159748

2-Bromo-3-fluorotoluene serves as a versatile intermediate in medicinal chemistry for introducing fluorinated motifs into drug candidates, enhancing metabolic stability. It is employed in palladium-catalyzed coupling reactions to synthesize biaryl compounds for OLED materials. The compound also finds use in agrochemical research as a precursor for herbicides and fungicides with improved bioavailability.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

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