3,5-Bis(trifluoromethyl)benzoic acid, 98%

Description

CAS: 725-89-3 | C9H4F6O2 | 258.12 g/mol

In vitro metabolism studies on a series of 3,5-bis(trifluoromethyl)benzyl ethers have identified 3,5-bis(trifluoromethyl)benzoic acid as a significant metabolite possibly arising via oxidation of the benzylic position. The reactivity of the hydroxy- propyl units was demonstrated by the esterification of por- phyrazine derivatives with 3,5-bis(trifluoromethyl)benzoic acid in the presence of dicyclohexylcarbodiimide and toluene- p-sulfonic acid.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
In vitro metabolism studies on a series of 3,5-bis(trifluoromethyl)benzyl ethers have identified 3,5-bis(trifluoromethyl)benzoic acid as a significant metabolite possibly arising via oxidation of the benzylic position. The reactivity of the hydroxy- propyl units was demonstrated by the esterification of por- phyrazine derivatives with 3,5-bis(trifluoromethyl)benzoic acid in the presence of dicyclohexylcarbodiimide and toluene- p-sulfonic acid.

Solubility
Slightly soluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 725-89-3
• Molecular Formula: C9H4F6O2
• Molecular Weight (g/mol): 258.12
• MDL Number: MFCD00000388
• InChI Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N
• Synonym: 3,5-bis trifluoromethyl benzoic acid, 3,5-di trifluoromethyl benzoic acid, benzoic acid, 3,5-bis trifluoromethyl, bis 3,5-trifluoromethyl benzoic acid, mbt-boa, 3,5-bis-trifluoromethyl-benzoic acid, 3,5-bis-trifluoromethyl benzoic acid, 3.5-bis trifluoromethyl benzoic acid, pubchem2725
• PubChem CID: 12889
• IUPAC Name: 3,5-bis(trifluoromethyl)benzoic acid
• SMILES: OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

• Melting Point: 140°C to 144°C
• Density: 1.42
• Quantity: 100 g
• Beilstein: 2058600
• Solubility Information: Slightly soluble in water.
• Formula Weight: 258.12
• Percent Purity: 98%
• Chemical Name or Material: 3,5-Bis (trifluoromethyl)benzoic acid

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber	211-970-1
RTECSNumber	DG4448020
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only