3,4,5-Trifluorophenylacetic acid

Name: 3,4,5-Trifluorophenylacetic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 209991-62-8
Cat. No. CS-W015910
Purity≥98%
MDL No.MFCD00083532

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3,4,5-Trifluorophenylacetic acid|CS-W015910

Structure of 209991-62-8

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General Information

CAS No. 209991-62-8
Cat. No. CS-W015910
Purity ≥98%
MDL No. MFCD00083532
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅F₃O₂
Molecular Weight 190.12
Synonym(s) 3,4,5-Trifluorophenyl acetic acid
SMILES O=C(O)CC1=CC(F)=C(F)C(F)=C1

Description

3,4,5-Trifluorophenylacetic acid features a trifluorinated aromatic ring that imparts enhanced electron-withdrawing character and metabolic stability. This structure facilitates direct incorporation into bioactive molecules, enabling efficient conjugation in medicinal chemistry applications. The carboxylic acid group provides a reactive handle for amide bond formation under standard coupling conditions.

Application

3,4,5-Trifluorophenylacetic acid serves as a versatile building block in medicinal chemistry, enabling the introduction of a highly electron-deficient arylacetyl moiety into target molecules. Its trifluorophenyl group enhances metabolic stability and modulates lipophilicity, while the carboxylic acid functionality facilitates direct coupling reactions or derivatization. The compound exhibits excellent bench stability and compatibility with standard synthetic protocols, making it a practical choice for constructing bioactive scaffolds and API intermediates.

Synthesis

Route1
- 238743-47-0
- ~%
- In-stock
  
  209991-62-8
References
- EP1484304 A1, ; Page 9 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 37.3
LogP 1.731
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3,4,5-Trifluorophenylacetic acid

CAS No. 209991-62-8

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