1-Chloro-3-methylbut-3-en-2-one CAS 193958-16-6
| CAS No. | 193958-16-6 |
| Molecular Formula | C5H7ClO |
| Molecular Weight | 118.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-Chloro-3-methylbut-3-en-2-one (CAS 193958-16-6), molecular formula C5H7ClO and molecular weight 118.56 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-Chloro-3-methylbut-3-en-2-one (C5H7ClO) contains a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 118.56 g/mol, it falls into the low-molecular-weight range. 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.
As a certified reference material (CRM), 1-Chloro-3-methylbut-3-en-2-one 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 | C5H7ClO |
| Molecular Weight | 118.56 g/mol |
| Purity | N/A |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Stable under recommended storage conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 2012 |
| Halogen Content | Cl-containing |
Related Chloro Standards
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- 3-Chloro-2-methylbut-2-enal (CAS 1679-40-9)
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Recommended Standards
- 694-28-0 2-Chlorocyclopentan-one Cyclopentanone, 2-chloro- 4-07-00-00012 (Beilstein Handbook Reference) BRN 1098899 alpha-Chlorocyclopentanone 2-Chlorocyclopentanone 2-Chloro-1-cyclopentanone EINECS 211-769-9 NSC 60206 (CAS 694-28-0)
- 3-Chlorothiophene (CAS 17249-80-8)
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- 2-Chlorothiophene (CAS 96-43-5)
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- 3-tert-butyl-1-iodoimidazo[1,5-a]pyrazin-8-amine (CAS 1320267-01-3)
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