Description

3-Bromo-2-fluorotoluene (CAS No. 59907-12-9) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrF. This specialty chemical, also known by its IUPAC name 1-bromo-2-fluoro-3-methylbenzene, is a valuable building block in organic synthesis and pharmaceutical research. The compound features a benzene ring substituted with bromine (Br), fluorine (F), and a methyl (CH₃) group at the 1, 2, and 3 positions respectively, offering unique reactivity for electrophilic aromatic substitution and cross-coupling reactions.

Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Typical impurities are controlled below 0.5% (HPLC). Suitable for use in Suzuki-Miyaura couplings, Buchwald-Hartwig aminations, and other transition metal-catalyzed reactions. Store in cool, dry conditions (2-8°C) protected from light.

Synonyms include: EINECS 261-981-0, DTXSID20208627

Properties

• CAS Number: 59907-12-9
• Complexity: 94.9
• IUPAC Name: 1-bromo-2-fluoro-3-methyl-benzene
• InChI: InChI=1S/C7H6BrF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
• InChI Key: LZVNGSFAHGKCDM-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: 3-Bromo-2-fluorotoluene, 59907-12-9, 1-Bromo-2-fluoro-3-methylbenzene, EINECS 261-981-0, DTXSID20208627, DTXCID70131118, 261-981-0, 1-Bromo-2-fluoro-3-methyl-benzene, MFCD04972694, Benzene, 1-bromo-2-fluoro-3-methyl-, a-bromo-a-fluorotoluene, SCHEMBL1680463, SCHEMBL2290875, SCHEMBL9098417, SCHEMBL10677998, SCHEMBL25302090, 1-bromo-methyl-2-fluoro-benzene, 3-Bromo-2-fluorotoluene, 97%, BBL100770, SBB090878, STL554564, AKOS005145626, AC-2350, CS-W003215, AS-30453, SY008888, DB-030902, B2969, NS00055094, EN300-173576

Application

3-Bromo-2-fluorotoluene serves as a versatile intermediate in pharmaceutical synthesis, particularly for creating fluorinated drug candidates. The compound’s orthogonal halogen substituents enable sequential functionalization via selective cross-coupling reactions. Researchers utilize it in material science to develop liquid crystals and OLED materials, where the fluorine moiety enhances electronic properties. Its unique substitution pattern also makes it valuable for studying steric effects in aromatic nucleophilic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): 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 (97.6%): 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 (97.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.6%)

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