2-Chloro-4-trifluoromethylbenzoic acid

CAS: 23228-45-7

Ref. 3D-FC15381

Product Information

• Name: 2-Chloro-4-trifluoromethylbenzoic acid
• Brand: Biosynth
• Description: 2-Chloro-4-trifluoromethylbenzoic acid is a chemical compound with the formula CHClFO. It can be obtained by deprotonation of 2,4,6-trichlorobenzoic acid with butyllithium and subsequent reaction with chlorotrifluoromethane. The product has two regioisomers, one in which the chlorine atom is attached to the para position on the benzene ring and the other in which it is attached to the ortho position. Substituents such as alkyl groups or lithium reagents can affect both reactivity and selectivity. The halogen substituent can also be replaced by other functional groups to make derivatives of this compound.

Chemical properties

• Molecular weight: 224.56 g/mol
• Formula: C₈H₄ClF₃O₂
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C8H4ClF3O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
• InChI key: InChIKey=DTIJZEUKFYGSEC-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(C(F)(F)F)cc1Cl