3-Chloro-4-(trifluoromethoxy)phenylacetic Acid CAS 1017779-77-9
| CAS No. | 1017779-77-9 |
| Molecular Formula | C9H6ClF3O3 |
| Molecular Weight | 254.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Chloro-4-(trifluoromethoxy)phenylacetic Acid (CAS 1017779-77-9), molecular formula C9H6ClF3O3 and molecular weight 254.59 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-Chloro-4-(trifluoromethoxy)phenylacetic Acid (C9H6ClF3O3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H6ClF3O3 |
| Molecular Weight | 254.59 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.) | 1988 |
| Halogen Content | F/Cl-containing |
Related Chloro Standards
- {[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino}acetic acid (CAS 1016690-98-4)
- Ethyl 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylate (CAS 1027059-34-2)
- 5-Chloro-2-(2,2,2-trifluoroethoxy)benzoic acid (CAS 1075243-52-5)
- 1092461-21-6 5-Chloro-2-(trifluoromethoxy)phenylacetic acid MFCD11519360 (CAS 1092461-21-6)
- Methyl 5-chloro-2-hydroxy-4-(trifluoromethyl)benzoate (CAS 1103837-39-3)
- 3-Chloro-4-(2,2,2-trifluoroethoxy)benzoic acid (CAS 1192829-76-7)
- 2-(2-Chloro-6-(trifluoromethyl)phenyl)-2-hydroxyacetic acid (CAS 1214361-53-1)
- Methyl 4-chloro-3-(trifluoromethoxy)benzoate (CAS 1261444-00-1)
Recommended Standards
- Bis-(2-oxo-3-oxazolidinyl)phosphinic chloride BOP-CL bis(2-oxo-3-oxazolidinyl)phosphinic chloride bis(2-oxo-3-oxazolidinyl)phosphonic chloride bis-(2-oxo-3-oxazolidinyl)phosphinic chloride n,n-bis(2-oxo-3-oxazolidinyl)phosphinic chloride BOP-Cl N,N-Bis(2-oxo-3-oxazolidinyl)phosphonic chloride Phosphoric acid bis(2-oxooxazolidide) chloride 68641-49-6 (CAS 68641-49-6)
- 4-Methoxy-3-(trifluoromethoxy)benzoyl chloride (CAS 1070774-23-0)
- 573675-31-7 7-BROMO-4-CHLOROPYRIDO[3,2-D]PYRIMIDINE ABBYPHARMA AP-14-10972 BC003903 PYRIDO[3,2-D]PYRIMIDINE, 7-BROMO-4-CHLORO- (CAS 573675-31-7)
- 6-bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS 784150-42-1)
- N,N-dimethyl-5-((thietan-3-ylamino)methyl)-1,2,4-oxadiazol-3-amine (CAS 1874887-73-6)
- 2,6-Dichloro-3-(difluoromethoxy)benzyl bromide (CAS 1803831-63-1)
- 1-Bromo-5-iodo-4-methoxy-2-(trifluoromethyl)benzene (CAS 2241588-80-5)
- 2-(1H-Indol-3-yl)-3-methylquinoline-4-carboxylic acid (CAS 89391-09-3)
- 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2-ethylbutanoate (CAS 2245137-17-9)
- (S)-2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl)-acetamide (CAS 123643-51-6)
- 8-Hydrazinyl-2-methylquinoline (CAS 90839-89-7)
- Methyl 3-chloro-2-fluoro-5-(trifluoromethyl)benzoate (CAS 773874-03-6)
- 1,4-Dibromo-2,5-bis((prop-2-yn-1-yloxy)methyl)benzene (CAS 1812909-72-0)
- Atrial Natriuretic Polypeptide (4-28), human (CAS 95896-08-5)
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