Description

4-(Chloromethyl)-1-isopropoxy-2-(trifluoromethyl)benzene (CAS No. 1215118-94-7) is a high-purity organic compound with the molecular formula C₁₁H₁₂ClF₃O, widely utilized in pharmaceutical and agrochemical research. This aromatic derivative features a chloromethyl group and a trifluoromethyl substituent on the benzene ring, making it a versatile intermediate for synthetic applications. Its IUPAC name, 4-(chloromethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene, reflects its precise structural configuration. With a molecular weight of 252.66 g/mol, this compound is supplied as a clear to pale-yellow liquid or solid, ensuring optimal handling and reactivity. Ideal for nucleophilic substitution reactions, cross-coupling, and functional group transformations, it is packaged under inert conditions to guarantee stability and longevity. Suitable for laboratory use only.

Properties

• CAS Number: 1215118-94-7
• Complexity: 218
• IUPAC Name: 4-(chloromethyl)-1-isopropoxy-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C11H12ClF3O/c1-7(2)16-10-4-3-8(6-12)5-9(10)11(13,14)15/h3-5,7H,6H2,1-2H3
• InChI Key: SKOIWBPVBTURJZ-UHFFFAOYSA-N
• Exact Mass: 252.0528772
• Molecular Formula: C11H12ClF3O
• Molecular Weight: 252.66
• SMILES: CC(C)OC1=C(C=C(C=C1)CCl)C(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 252.0528772
• Synonyms: 4-(Chloromethyl)-1-isopropoxy-2-(trifluoromethyl)benzene, 1215118-94-7, MFCD18330937, SCHEMBL932902, AKOS012624987, AT11776, DB-194677, 4-(chloromethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene

Application

4-(Chloromethyl)-1-isopropoxy-2-(trifluoromethyl)benzene serves as a key intermediate in the synthesis of biologically active molecules, particularly in pharmaceutical and agrochemical industries. Its reactive chloromethyl group enables facile derivatization, making it valuable for constructing complex scaffolds in drug discovery. The trifluoromethyl moiety enhances metabolic stability and lipophilicity, critical for optimizing drug candidates. Researchers also employ this compound in material science for developing specialty polymers and coatings.

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