Description

1-(Bromomethyl)-4-(trifluoromethoxy)benzene (CAS No. 50824-05-0) is a high-purity organic compound with the molecular formula C₈H₆BrF₃O. This aromatic bromide derivative features a bromomethyl group and a trifluoromethoxy substituent on the benzene ring, making it a versatile intermediate for synthetic chemistry applications. It is supplied as a clear to pale-yellow liquid with a molecular weight of 255.03 g/mol and is characterized by its high reactivity in nucleophilic substitution reactions. Ideal for pharmaceutical, agrochemical, and materials science research, this compound is rigorously tested for purity and stability, ensuring reliable performance in advanced chemical synthesis. Store in a cool, dry place under inert conditions to maintain optimal quality.

Properties

• CAS Number: 50824-05-0
• Complexity: 152
• IUPAC Name: 1-(bromomethyl)-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
• InChI Key: JDNPUJCKXLOHOW-UHFFFAOYSA-N
• Exact Mass: 253.95541
• Molecular Formula: C8H6BrF3O
• Molecular Weight: 255.03
• SMILES: C1=CC(=CC=C1CBr)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 253.95541
• Synonyms: 1-(bromomethyl)-4-(trifluoromethoxy)benzene, 4-Trifluoromethoxybenzyl bromide, 628-274-2, 4-(Trifluoromethoxy)benzyl bromide, 50824-05-0, 4-(bromomethyl)phenyl trifluoromethyl ether, 4-(Trifluoromethoxy)benzylbromide, [4-(bromomethyl)phenoxy]trifluoromethane, Benzene, 1-(bromomethyl)-4-(trifluoromethoxy)-, 1-Bromomethyl-4-trifluoromethoxybenzene; 4-(Bromomethyl)phenyl Trifluoromethyl Ether; 4-(Trifluoromethoxy)-1-(bromomethyl)-benzene; 4-Trifluoromethoxybenzyl Bromide; p-Trifluoromethoxybenzyl Bromide, MFCD00061238, alpha-Bromo-4-(trifluoromethoxy)toluene, 4-trifluormethoxybenzylbromide, 4-trifluoromethoxybenzylbromide, SCHEMBL104233, 4-trifluoromethoxy-benzylbromide, p-trifluoromethoxy benzyl bromide, 4-trifluoromethoxy benzyl bromide, 4-trifluoromethoxy-benzyl bromide, DTXSID00198855, p-(trifluoromethoxy) benzylbromide, 4-(trifluoromethoxy)-benzyl bromide, alpha-bromo-4-trifluoromethoxytoluene, BBL028087, SBB006578, STK802210, bromomethyl-4-trifluoromethoxy-benzene, AKOS005259923, 1-bromomethyl-4-trifluoromethoxybenzene, 4-bromomethyl-1-trifluoromethoxybenzene, AB02407, CS-W004112, 1-bromomethyl-4-trifluoromethoxy-benzene, 4-(Trifluoromethoxy)benzyl bromide, 97%, AC-16905, AS-14549, DB-024101, ST50953424, T1781, 4-(Trifluoromethoxy)-1-(bromomethyl)-benzene, EN300-28932, A22314, F0001-1330, P-TritluromethoxybenzylBromide;4-(Trifluoromethoxy)benzyl, 1-(Bromomethyl)-4-(trifluoromethoxy)benzene; alpha-Bromo-4-trifluoromethoxytoluene

Application

1-(Bromomethyl)-4-(trifluoromethoxy)benzene is widely used as a key building block in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its reactive bromomethyl group enables efficient alkylation and cross-coupling reactions, while the trifluoromethoxy moiety enhances metabolic stability in drug candidates. Researchers also employ this compound in the development of advanced materials, including liquid crystals and polymers, due to its unique electronic properties. Its versatility makes it valuable in medicinal chemistry for the design of bioactive molecules.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (82%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1C (100%)
• Eye Dam. 1 (82%)

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