(2,3,4,5,6-Pentachlorophenyl)methyl 4-(diethylamino)-3-fluorobenzoate CAS 329701-56-6
| CAS No. | 329701-56-6 |
| Molecular Formula | C18H15Cl5FNO2 |
| Molecular Weight | 473.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(2,3,4,5,6-Pentachlorophenyl)methyl 4-(diethylamino)-3-fluorobenzoate (CAS 329701-56-6), molecular formula C18H15Cl5FNO2 and molecular weight 473.58 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (2,3,4,5,6-Pentachlorophenyl)methyl 4-(diethylamino)-3-fluorobenzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 473.58 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C18H15Cl5FNO2 |
| Molecular Weight | 473.58 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Pentachlorophenyl Standards
- Pentachlorophenyl Laurate (CAS 3772-94-9)
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- 5-(Pentachlorophenyl)-1,2,3,4,7,7-hexachloro-2-norbornene (CAS 36439-47-1)
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Recommended Standards
- N-[2-(Dimethylamino)ethyl]-2-(1,1-dimethylethyl)-7-(4-fluorophenyl)-N-(phenylmethyl)-pyrazolo[1,5-a]pyrimidine-5-carboxamide (CAS 1314206-29-5)
- 4-((2,3-Disulfotetradecyl)oxy)-4-oxobutanoic acid (CAS 88683-60-7)
- BIBP3226 (CAS 159013-54-4)
- Raloxifene (CAS 84449-90-1)
- (1-((2-Bromophenyl)sulfonyl)pyrrolidin-3-yl)methanamine (CAS 1831283-54-5)
- [2-(pyridin-3-yl)ethyl]urea (CAS 1179193-35-1)
- 2-((Methylthio)methyl)-6-(trifluoromethyl)aniline (CAS 88301-96-6)
- 6-(1,1-Difluoroethyl)picolinonitrile (CAS 1472616-15-1)
- N-(Furan-2-ylmethyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide (CAS 1021260-54-7)
- 6-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine (CAS 1357946-55-4)
- Ethyl 5,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CAS 1018144-32-5)
- 2-(7-Chloro-5-fluoro-1H-indol-3-yl)acetic acid (CAS 1227499-62-8)
- Amoxicillin EP Impurity H (CAS 205826-86-4)
- Serpent Peptide (CAS 823202-99-9)
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