3,4-Bis(trifluoromethyl)benzoic Acid CAS 133804-66-7
| CAS No. | 133804-66-7 |
| Molecular Formula | C9H4F6O2 |
| Molecular Weight | 258.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 3,4-Bis(trifluoromethyl)benzoic Acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 258.12 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 3,4-Bis(trifluoromethyl)benzoic Acid (CAS 133804-66-7), a certified reference material (molecular formula C9H4F6O2, MW 258.12 g/mol) for analytical method development and quality control.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C9H4F6O2 |
| Molecular Weight | 258.12 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
Related Bis Standards
- 2,3-Bis(trifluoromethyl)benzoic acid (CAS 42175-55-3)
- 2,4 - Bis(trifluoromethyl)benzoic acid 2,4-Bis-trifluoromethyl-benzoic acid 32890-87-2 benzoic acid, 2,4-bis(trifluoromethyl)- (CAS 32890-87-2)
- 2,5-Bis(trifluoromethyl)benzoic acid 2,5-DI(TRIFLUOROMETHYL)BENZOIC ACID 42580-42-7 AS00867 RARECHEM AL BO 1002 (CAS 42580-42-7)
- 3,5-Bis(Trifluoromethyl)Benzoic Acid (CAS 725-89-3)
- 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic Acid (CAS 1092400-82-2)
- 5-(3-(Trifluoromethyl)phenyl)-1,2,4-oxadiazole-3-carboxylic acid (CAS 163720-44-3)
- 3-(3-(Trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-carboxylic acid (CAS 944905-74-2)
- 3-(4-(Trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-carboxylic acid (CAS 944906-47-2)
Recommended Standards
- 2,2,2-Trifluoro-1-(3-(trifluoromethoxy)phenyl)ethan-1-one (CAS 1335013-59-6)
- 5-Bromo-2-(pyrrolidin-2-ylmethoxy)pyrimidine (CAS 1340505-46-5)
- (2-(Isopentyloxy)naphthalen-1-yl)boronic acid (CAS 1313760-73-4)
- 1-(2-(4-Bromo-1H-pyrazol-1-yl)ethyl)pyrrolidin-2-one (CAS 1342834-84-7)
- 4-[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(2,2-dimethoxyethyl)-1H-pyrrole-2-carboxamide (CAS 478064-46-9)
- 3,6-Dinitro-pyridazine (CAS 439660-19-2)
- PMPA (CAS 616-52-4)
- (3R)-3-(2-chlorophenoxy)pyrrolidine (CAS 900572-39-6)
- 5-Oxooctanoic acid (CAS 3637-14-7)
- 4-Methyl-2-(1H-pyrrol-2-yl)quinoline (CAS 943825-14-7)
- dispiro[2.0.2⁴.1³]heptan-7-ylmethanol (CAS 422318-76-1)
- Methyl 3-(naphthalen-1-yl)-5-nitrobenzoate (CAS 1820642-15-6)
- Melatonin 6-Chloro Impurity (CAS 63762-74-3)
- Semaglutide impurity 38 (CAS CATO-C4X-222638)
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