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3,5-Bis(trifluoromethyl)benzoic acid, 98%
CAS: 725-89-3 | C9H4F6O2 | 258.12 g/mol
$107.68 - $930.32
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 |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
|---|---|---|---|---|---|---|---|---|---|
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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AAA1132506
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Thermo Scientific Chemicals
A1132506 |
5 g |
Each for $107.68
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AAA1132514
|
Thermo Scientific Chemicals
A1132514 |
25 g |
Each for $323.05
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AAA1132522
|
Thermo Scientific Chemicals
A1132522 |
100 g |
Each for $930.32
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Description
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.
ApplicationsIn 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.
Chemical Identifiers
| 725-89-3 | |
| 258.12 | |
| HVFQJWGYVXKLTE-UHFFFAOYSA-N | |
| 12889 | |
| OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| C9H4F6O2 | |
| MFCD00000388 | |
| 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 | |
| 3,5-bis(trifluoromethyl)benzoic acid |
Specifications
| 725-89-3 | |
| 1.42 | |
| MFCD00000388 | |
| 2058600 | |
| Slightly soluble in water. | |
| OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F | |
| 258.12 | |
| 258.12 | |
| 3,5-Bis (trifluoromethyl)benzoic acid |
| 140°C to 144°C | |
| C9H4F6O2 | |
| 5 g | |
| 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 | |
| HVFQJWGYVXKLTE-UHFFFAOYSA-N | |
| 3,5-bis(trifluoromethyl)benzoic acid | |
| 12889 | |
| 98% |
Safety and Handling
GHS H Statement
H315-H319-H335
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
H315-H319-H335
EINECSNumber : 211-970-1
RTECSNumber : DG4448020
TSCA : No
Recommended Storage : Ambient temperatures
RUO – Research Use Only