5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile CAS 27487-83-8
| CAS No. | 27487-83-8 |
| Molecular Formula | C16H22ClNO2 |
| Molecular Weight | 295.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile (CAS 27487-83-8) is a high-purity analytical reference standard with the molecular formula C16H22ClNO2 and a molecular weight of 295.80 g/mol.
Based on its molecular formula C16H22ClNO2, 5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 295.80 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H22ClNO2 |
| Molecular Weight | 295.80 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1964 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate (CAS 946593-11-9)
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- Pethoxamid (CAS 106700-29-2)
- tert-Butyl 3-(3-amino-4-chlorophenyl)-3-cyclopropylpropanoate (CAS 1402937-10-3)
- (S)-tert-Butyl (5-(dimethylamino)-1-oxo-1-(piperazin-1-yl)pentan-2-yl)carbamate (CAS 1174064-68-6)
- tert-Butyl 2-benzylpiperazine-1-carboxylate (CAS 481038-63-5)
- Hexahydro-1h-pyrrolo[2,1-c]morpholine-3-carbonitrile (CAS 1423025-07-3)
- Isopropyl 5-amino-1H-imidazole-4-carboxylate (CAS 92062-84-5)
- (2R)-8-Methoxy-1,2,3,4-Tetrahydronaphthalene-2-carcoxylic acid methyl ester (CAS 1184173-30-5)
- (S)-3,3,3-trifluoropropane-1,2-diol (CAS 148683-14-1)
- 3-Fluoro-N-(1-methoxypropan-2-yl)-2-methylaniline (CAS 1247859-87-5)
- 1-(5-Chloro-2-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-one (CAS 1352224-05-5)
- 1,4-Difluoro-2-nitro-5-propoxybenzene (CAS 897732-26-2)
- Cholecystokinin Octapeptide (1-4) (desulfated) (CAS 80790-40-5)
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