1-Chloro-4-(1,1-dimethylethyl)benzene

CAS: 3972-56-3

Ref. 3D-FC139051

Product Information

• Name: 1-Chloro-4-(1,1-dimethylethyl)benzene
• Synonyms: 1-Chloro-4-tert-butylbenzene, 1-tert-Butyl-4-chlorobenzene, 4-Chloro-tert-butylbenzene, 4-tert-Butylchlorobenzene, 4-tert-Butylphenyl chloride, Benzene, 1-chloro-4-(1,1-dimethylethyl)-, Benzene, 1-tert-butyl-4-chloro-, p-Chloro-tert-butylbenzene, p-tert-Butylchlorobenzene
• CAS: 3972-56-3

Description

1-Chloro-4-(1,1-dimethylethyl)benzene is an impurity in the synthesis of 1,4-dichlorobenzene. It is formed by the reaction of chlorine and benzene that proceeds via a cross-coupling reaction with palladium complexes. 1-Chloro-4-(1,1-dimethylethyl)benzene is a byproduct that can be removed from the final product by vacuum distillation or crystallization. The compound has been shown to react with diarylmethanes to form chlorides, sulfonation to form sulfonic acids, and amination reactions to form amines. These reactions are catalyzed by hydrogen chloride (HCl), which increases in concentration as the reaction progresses.

• Brand: Biosynth

Chemical properties

• Molecular weight: 168.66 g/mol
• Formula: C₁₀H₁₃Cl
• Purity: Min. 95%
• InChI: InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
• InChI key: InChIKey=XRTANKYQJQXSFP-UHFFFAOYSA-N
• SMILES: CC(C)(C)c1ccc(Cl)cc1