Description

1-Bromo-3-fluoro-5-methylbenzene (CAS No. 202865-83-6) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrF. This specialty chemical serves as a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical applications. The compound features a benzene ring substituted with bromine (Br), fluorine (F), and a methyl (CH₃) group at the 1, 3, and 5 positions, respectively, offering unique electronic and steric properties for selective functionalization. Available in >98% purity (GC), it is supplied in amber glass bottles under inert atmosphere to ensure stability. Ideal for Suzuki couplings, nucleophilic substitutions, and other transition metal-catalyzed reactions. MSDS and analytical certificates available upon request.

Properties

• CAS Number: 202865-83-6
• Complexity: 94.9
• IUPAC Name: 1-bromo-3-fluoro-5-methyl-benzene
• InChI: InChI=1S/C7H6BrF/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
• InChI Key: CTNFNUQREIIROB-UHFFFAOYSA-N
• Exact Mass: 187.96369
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.02
• SMILES: CC1=CC(=CC(=C1)Br)F
• Monoisotopic Mass: 187.96369
• Synonyms: 202865-83-6, 1-bromo-3-fluoro-5-methylbenzene, 606-501-6, 3-Bromo-5-fluorotoluene, 3-fluoro-5-bromotoluene, Benzene, 1-bromo-3-fluoro-5-methyl-, MFCD01861195, 5-bromo-3-fluorotoluene, 1-bromo-3-fluoro-5-methyl-benzene, SCHEMBL1401617, SCHEMBL1438354, SCHEMBL1636347, SCHEMBL1662723, SCHEMBL5301748, DTXSID00378433, CTNFNUQREIIROB-UHFFFAOYSA-N, SBB090879, AKOS005145621, AC-2351, CS-W002837, GS-3264, SY017744, DB-023805, EN300-50152, Z600393520, 5-bromo-3-fluorotoluene;1-bromo-3-fluoro-5-methylbenzene;1-bromo-3-fluoro-5-methylbenzene

Application

1-Bromo-3-fluoro-5-methylbenzene is widely employed as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and liquid crystal materials. Its electron-deficient aromatic ring system makes it particularly valuable for palladium-catalyzed cross-coupling reactions. The compound is also utilized in material science for developing fluorinated organic semiconductors. Researchers frequently employ it to introduce both bromine and fluorine substituents in a single synthetic step, enabling efficient structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (33.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): 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, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 3 (33.3%)
• Acute Tox. 4 (33.3%)
• STOT SE 3 (100%)

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