Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate

CAS: 952182-25-1

Ref. 3D-FM92824

Product Information

• Name: Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate

Description

Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate is a crystalline compound that belongs to the class of organic compounds known as carboxylic acids. It has a monoclinic crystal structure and may be obtained by reacting methyl pyrrole-2-carboxylate with trifluoromethylmagnesium chloride. The parameters for the crystal structure of this compound are given in the table below:

Parameter Value
Space group P2/c
Unit cell dimensions a = 12.7, b = 12.7, c = 18.4
Cell volume V = 694 Å3
Number of formula units per unit cell Z = 2
Fracture type Brittle

• Brand: Biosynth

Chemical properties

• Molecular weight: 193.12 g/mol
• Formula: C₇H₆F₃NO₂
• Purity: Min. 95%
• InChI: InChI=1S/C7H6F3NO2/c1-13-6(12)4-2-3-5(11-4)7(8,9)10/h2-3,11H,1H3
• InChI key: InChIKey=PQFWTUPLKUNQPO-UHFFFAOYSA-N
• SMILES: COC(=O)c1ccc(C(F)(F)F)[nH]1