2,4,5-Trifluorophenylacetic acid - CAS 209995-38-0

Catalog:	BB016526
Product Name:	2,4,5-Trifluorophenylacetic acid
CAS:	209995-38-0
Synonyms:	Benzeneacetic acid, 2,4,5-trifluoro-; (2,4,5-Trifluorophenyl)acetic acid

2,4,5-Trifluorophenylacetic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-(2,4,5-trifluorophenyl)acetic acid
Description:	2,4,5-Trifluorophenylacetic acid is used in the synthesis of EGFR/ErbB-2-kinase inhibitors. It is also used in the synthesis of new imidazopyrazinone derivatives as potnetial dipeptidyl peptidase IV inhibitors. 2,4,5-Trifluorophenylacetic acid is an impurity of Sitagliptin.
Molecular Weight:	190.12
Molecular Formula:	C8H5F3O2
Canonical SMILES:	C1=C(C(=CC(=C1F)F)F)CC(=O)O
InChI:	InChI=1S/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChI Key:	YSQLGGQUQDTBSL-UHFFFAOYSA-N
Boiling Point:	255.0±35.0°C at 760 mmHg
Purity:	99%
Density:	1.468±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-white Solid
Storage:	Store at -20°C
MDL:	MFCD00082479
LogP:	1.73100

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