Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate

CAS: 155377-19-8

Ref. 3D-FE11392

Información del producto

• Nombre: Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate
• Sinónimos: 3-(Trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester, 4-Iodo-3-(Trifluoromethyl)Aniline, 1H-Pyrazole-4-Carboxylicacid, 3-(Trifluoromethyl)-
• CAS: 155377-19-8

Descripción

Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate is an organic compound with the formula CH(CF). It is a colorless liquid that has been shown to inhibit the growth of Mycobacterium tuberculosis. The crystal structure of ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate has been determined by X-ray crystallography and refined to an R value of 0.038. The structure was found to be monoclinic, space group P2 1 /c, with unit cell dimensions a = 12.814(3) Å, b = 7.902(1) Å, c = 8.085(2) Å and β = 106.9°.BR>BR>
The molecular geometry around the pyrazole ring is characterized by a dihedral angle between the two phenyl rings of -24°.

• Marca: Biosynth

Propiedades químicas

• Peso molecular: 208.14 g/mol
• Fórmula: C₇H₇F₃N₂O₂
• Pureza: Min. 95%
• InChI: InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
• Clave InChI: InChIKey=VYXIHSAEOXPAEY-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cn[nH]c1C(F)(F)F