Benzyl (S)-(4-chloro-1-(4-fluorophenyl)-3-oxobutan-2-yl)carbamate CAS 400771-48-4
| CAS No. | 400771-48-4 |
| Molecular Formula | C18H17ClFNO3 |
| Molecular Weight | 349.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Benzyl (S)-(4-chloro-1-(4-fluorophenyl)-3-oxobutan-2-yl)carbamate (CAS 400771-48-4), molecular formula C18H17ClFNO3 and molecular weight 349.78 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, Benzyl (S)-(4-chloro-1-(4-fluorophenyl)-3-oxobutan-2-yl)carbamate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 349.78 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.
As a certified reference material (CRM), Benzyl (S)-(4-chloro-1-(4-fluorophenyl)-3-oxobutan-2-yl)carbamate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C18H17ClFNO3 |
| Molecular Weight | 349.78 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-methylthieno[2,3-c]isothiazol-4-amine (CAS 321430-77-7)
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- 3-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)thio)-5-methylisothiazole-4-carbonitrile (CAS 338978-36-2)
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- 4-(Difluoromethyl)-2-methylbenzo[d]oxazole (CAS 1807047-38-6)
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- Sodium 2-(hydroxymethyl)benzene-1-sulfonate (CAS 31910-67-5)
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