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233099

Sigma-Aldrich

trans-4-(Trifluoromethyl)cinnamic acid

99%

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About This Item

Linear Formula:
CF3C6H4CH=CHCO2H
CAS Number:
Molecular Weight:
216.16
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

99%

form

solid

mp

231-233 °C (lit.)

SMILES string

OC(=O)\C=C\c1ccc(cc1)C(F)(F)F

InChI

1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+

InChI key

ANRMAUMHJREENI-ZZXKWVIFSA-N

Application

trans-4-(Trifluoromethyl)cinnamic acid has been employed as internal standard for the determination of A77 1726 (2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide) in plasma by HPLC.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Petra Bohanec Grabar et al.
Drug metabolism and disposition: the biological fate of chemicals, 37(10), 2061-2068 (2009-07-08)
Leflunomide is a disease-modifying antirheumatic drug used for the treatment of rheumatoid arthritis (RA). Cytochromes P450, mainly CYP1A2 and CYP2C19, may be involved in the transformation of leflunomide to leflunomide metabolite (A77 1726, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide). The aim of this study was
Noah D Bronstein et al.
ACS nano, 13(4), 3839-3846 (2019-03-12)
We present a combined experimental and theoretical study of ligand-ligand cooperativity during X-type carboxylate-to-carboxylate ligand exchange reactions on PbS quantum dot surfaces. We find that the ligand dipole moment (varied through changing the substituents on the benzene ring of cinnamic

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