Ethyl 4-isothiocyanatobutyrate CAS 17126-65-7
| CAS No. | 17126-65-7 |
| Molecular Formula | C7H11NO2S |
| Molecular Weight | 173.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 4-isothiocyanatobutyrate is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 4-isothiocyanatobutyrate (CAS 17126-65-7) is a high-purity analytical reference standard with the molecular formula C7H11NO2S and a molecular weight of 173.23 g/mol.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, Ethyl 4-isothiocyanatobutyrate is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 173.23 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Ethyl 4-isothiocyanatobutyrate 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 | C7H11NO2S |
| Molecular Weight | 173.23 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1961 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
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