454-92-2 | 3-(Trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
10g	95%	in stock	$6.00	$5.00
25g	95%	in stock	$14.00	$10.00
100g	≥98%	in stock	$43.00	$30.00
500g	95%	in stock	$76.00	$54.00

Description

• Catalog Number: AB44278
• Chemical Name: 3-(Trifluoromethyl)benzoic acid
• CAS Number: 454-92-2
• Molecular Formula: C8H5F3O2
• Molecular Weight: 190.1193
• MDL Number: MFCD00002519
• SMILES: OC(=O)c1cccc(c1)C(F)(F)F
• NSC Number: 43025

Computed Properties

• Complexity: 200
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 3

Literature

• 2-(4-Fluoro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate.

  Acta crystallographica. Section E, Structure reports online 20111101

• 2-(4-Chloro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate.

  Acta crystallographica. Section E, Structure reports online 20110701

• Insulin allosteric behavior: detection, identification, and quantification of allosteric states via 19F NMR.

  Biochemistry 20050531

• Polymeric drugs with prolonged sustained delivery of specific anti-aggregant agents for platelets: kinetic analysis of the release mechanism.

  Journal of biomaterials science. Polymer edition 20040101

• Photoinduced electron transfer and chemical alpha-deoxygenation of D-galactono-1,4-lactone. Synthesis of 2-deoxy-D-lyxo-hexofuranosides.

  Carbohydrate research 20021119