Description

1-Bromo-3-(trifluoromethoxy)benzene (CAS No. 2252-44-0) is a high-purity aromatic compound with the molecular formula C₇H₄BrF₃O. This specialized chemical features a benzene ring substituted with a bromine atom and a trifluoromethoxy group at the meta position, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structure offers excellent reactivity for cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced fluorinated materials. Suitable for use in HPLC, GC-MS, and NMR applications, this compound is rigorously tested to ensure ≥98% purity (GC). Packaged under inert gas to maintain stability, it is ideal for researchers requiring precise and reliable building blocks for complex molecular architectures.

Properties

• CAS Number: 2252-44-0
• Complexity: 148
• IUPAC Name: 1-bromo-3-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
• InChI Key: WVUDHWBCPSXAFN-UHFFFAOYSA-N
• Exact Mass: 239.93976
• Molecular Formula: C7H4BrF3O
• Molecular Weight: 241.00
• SMILES: C1=CC(=CC(=C1)Br)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 239.93976
• Synonyms: 1-Bromo-3-(trifluoromethoxy)benzene, 2252-44-0, BENZENE, 1-BROMO-3-(TRIFLUOROMETHOXY)-, DTXSID90334205, DTXCID60285295, 670-520-6, 918-588-0, 3-(Trifluoromethoxy)bromobenzene, 3-bromo-1-(trifluoromethoxy)benzene, MFCD00040943, 1-Bromo-3-trifluoromethoxy-benzene, 3-bromo-(trifluoromethoxy)benzene, 3-bromo(trifluoromethoxy)benzene, Anisole, m-bromo-.alpha..alpha..alpha.-trifluoro-, m-bromotrifluoromethoxybenzene, 3-bromotrifluoromethoxybenzene, 3-Trifluoromethoxybromobenzene, SCHEMBL278324, SCHEMBL455599, SCHEMBL456928, SCHEMBL457039, SCHEMBL457747, 3-(trifluoromethoxy)brombenzene, 1-bromo-3-trifluoromethoxybenzene, m-bromophenyl trifluoromethyl ether, 1-bromo-3 (trifluoromethoxy)benzene, SBB054150, AKOS005145714, AC-9680, CS-W012800, GS-3480, 1-bromo-3-[(trifluoromethyl)oxy]benzene, SY002363, 1-Bromo-3-(trifluoromethoxy)benzene, 99%, DB-023832, B2007, ST50306897, A24268, EN300-213435, InChI=1/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4

Application

1-Bromo-3-(trifluoromethoxy)benzene is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and liquid crystals. Its trifluoromethoxy group enhances metabolic stability and lipophilicity in drug design, making it valuable for medicinal chemistry. This compound is also employed in material science for developing fluorinated polymers and advanced electronic materials. Researchers utilize it in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to construct complex aromatic systems.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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 (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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (12.5%)
• Skin Irrit. 2 (87.5%)
• Eye Irrit. 2 (87.5%)
• STOT SE 3 (75%)

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