3-(1,1,2,2,2-pentafluoroethyl)benzoic acid CAS 13710-47-9
| CAS No. | 13710-47-9 |
| Molecular Formula | C9H5F5O2 |
| Molecular Weight | 240.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(1,1,2,2,2-pentafluoroethyl)benzoic acid (CAS 13710-47-9) is a high-purity analytical reference standard with the molecular formula C9H5F5O2 and a molecular weight of 240.13 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 3-(1,1,2,2,2-pentafluoroethyl)benzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 240.13 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).
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.
CATO manufactures 3-(1,1,2,2,2-pentafluoroethyl)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H5F5O2 |
| Molecular Weight | 240.13 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.) | 1960 |
| Halogen Content | F-containing |
Related pentafluoroethyl Standards
- 2117AE 383-13-1 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid C9H5F5O2 (CAS 383-13-1)
- 5-(1,1,2,2,2-Pentafluoroethyl)pyridine-3-carboxylic acid (CAS 1204235-23-3)
- 2-Acetyl-6-(pentafluoroethyl)pyridine (CAS 1580464-65-8)
- (4-Methyl-5-pentafluoroethyl- pyridin-2-yl)-methanol (CAS 1246466-26-1)
- (4-Methyl-5-pentafluoroethyl-pyridin-2-yl)-hydrazine (CAS 1246471-27-1)
- 1-(Pentafluoroethyl)-4-propyl-benzene (CAS 158536-00-6)
- 6-Pentafluoroethyl-pyridazine-3-carboxylic acid (CAS 1206523-83-2)
- 3-Pentafluoroethyl-pyrazine-2-carboxylic acid (CAS 1206524-45-9)
Recommended Standards
- 1-(2,3-Difluoro-4-methoxyphenyl)-2,2,2-trifluoroethan-1-one (CAS 1356109-99-3)
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- 2,2-Difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid (CAS 1343107-31-2)
- Methyl 3,5-difluoro-4-(trifluoromethyl)benzoate (CAS 1417567-72-6)
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