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  8. 3,5-Bis(trifluoromethyl)benzoic acid, 98%

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

Product Code. 11493724
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Product Code. Quantity unitSize
11493724 5 g 5g
11403734 25 g 25g
11413734 100 g 100g
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Product Code. 11493724

Brand: Thermo Scientific Alfa Aesar A11325.06

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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.
TRUSTED_SUSTAINABILITY

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

Specifications

Melting Point 140°C to 144°C
Density 1.42
Quantity 5 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

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