Pentyl 2-cyanoacetate CAS 17686-39-4
| CAS No. | 17686-39-4 |
| Molecular Formula | C11H15Cl2N3O4 |
| Molecular Weight | 324.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Pentyl 2-cyanoacetate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Pentyl 2-cyanoacetate (CAS 17686-39-4) is a high-purity analytical reference standard with the molecular formula C11H15Cl2N3O4 and a molecular weight of 324.16 g/mol.
Based on its molecular formula C11H15Cl2N3O4, Pentyl 2-cyanoacetate 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 324.16 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
CATO manufactures Pentyl 2-cyanoacetate 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 | C11H15Cl2N3O4 |
| Molecular Weight | 324.16 g/mol |
| Appearance | Off-white to pale 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 methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1962 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Pentyl Standards
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- 4-[4-(tert-Pentyl)phenoxy]-3-(trifluoromethyl)-phenylamine (CAS 946740-86-9)
- 1-(1-Pentyl-1H-indol-3-yl)-2-(m-tolyl)ethan-1-one (CAS 1427325-88-9)
- Pentyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 300799-32-0)
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Recommended Standards
- 1-(4-Iodophenoxy)-3,5-dimethylbenzene (CAS 167987-59-9)
- 5-Iodo-2-(methylthio)thieno[2,3-d]pyrimidin-4-ol (CAS 1823542-70-6)
- methyl 3-iodo-1-methyl-1H-indazole-5-carboxylate (CAS 1234616-44-4)
- 2-(methoxymethyl)pyrrolidin-1-amine (CAS 187035-29-6)
- 4-(4-Bromo-3-(difluoromethyl)-1H-pyrazol-1-yl)butanoic acid (CAS 1855944-81-8)
- 1-Isopropyl-5-(pyrrolidin-2-yl)-1H-1,2,4-triazole (CAS 1708027-07-9)
- 1-(2-Ethylbutanoyl)pyrrolidine-3-carboxylic acid (CAS 1310286-40-8)
- 2-(1-Methylpiperazin-2-yl)acetonitrile (CAS 141944-75-4)
- Methyl 10-methylundecanoate (CAS 5129-56-6)
- (1-(6-Ethoxy-2-(methylthio)pyrimidin-4-yl)piperidin-4-yl)methanamine hydrochloride (CAS 1353980-21-8)
- (5Z)-5-[(Dimethylamino)methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione (CAS 866137-17-9)
- N-Methylbenzo[b]thiophen-4-amine (CAS 98978-22-4)
- 5-Chloro-1-methylimidazole-13C4 (CAS 1391052-92-8)
- Semaglutide（sodium salt） (CAS CATO-C4X-222619)
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