1,4-Difluoro-2-(trifluoromethyl)benzene

CAS: 393-38-4

Ref. 3D-FD105053

Informação sobre produto

• Nome: 1,4-Difluoro-2-(trifluoromethyl)benzene
• Sinónimos: 1,4-Difluor-2-(trifluormethyl)benzol, 2,5-Difluorobenzotrifluoride, Benzene, 1,4-difluoro-2-(trifluoromethyl)-, Toluene, α,α,α,2,5-pentafluoro-

Descrição

1,4-Difluoro-2-(trifluoromethyl)benzene is a synthetic compound that is used to model some aspects of the reactivity of 2-fluoro-5-nitrobenzotrifluoride. The molecule was synthesized by reacting ethylene with difluoromethyl trifluorobromide and sodium fluoride in an ethylene atmosphere. This molecule has been modelled using quantum chemical calculations to investigate its potential reactivity. It is postulated that the molecule will behave as a nucleophile, and it has been suggested that electron density may be maximised around the fluorine atom at the 1,4 position.

• Marca: Biosynth

Propriedades químicas

• Peso molecular: 182.09 g/mol
• Fórmula: C₇H₃F₅
• Pureza: Min. 95%
• InChI: InChI=1S/C7H3F5/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
• Chave InChI: InChIKey=BLDOSVXRDMTZQE-UHFFFAOYSA-N
• SMILES: Fc1ccc(F)c(C(F)(F)F)c1