Methyl 4-Trifluoromethylcinnamate

CAS: 20754-22-7

Ref. 3D-FM53012

Informação sobre produto

• Nome: Methyl 4-Trifluoromethylcinnamate
• Sinónimos: (E)-Methyl 3-(4-(trifluoromethyl)phenyl)acrylate, Methyl (E)-(4-Trifluoromethyl)cinnamate, methyl (2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
• CAS: 20754-22-7

Descrição

Methyl 4-Trifluoromethylcinnamate is a compound that has been shown to have dihedral and pyrazole ring conformations. This molecule's conformation is oriented, which means that the four carbons of the pyrazole ring are in a plane with the two hydrogen atoms at the opposite end of the plane. The methyl group is attached to one of these carbons, and is oriented so that it can form hydrogen bonds with two other carbons. Methyl 4-Trifluoromethylcinnamate crystallizes as a monohydrate and has a crystal structure made up of benzene rings.

• Marca: Biosynth

Propriedades químicas

• Peso molecular: 230.18 g/mol
• Fórmula: C₁₁H₉F₃O₂
• Pureza: Min. 95%
• InChI: InChI=1S/C11H9F3O2/c1-16-10(15)7-4-8-2-5-9(6-3-8)11(12,13)14/h2-7H,1H3/b7-4+
• Chave InChI: InChIKey=YUEFITCWDISQAO-QPJJXVBHSA-N
• SMILES: COC(=O)/C=C/c1ccc(C(F)(F)F)cc1