1,1-dioxo-1λ⁶-thiolan-3-yl carbonochloridate CAS 77691-76-0
| CAS No. | 77691-76-0 |
| Molecular Formula | C5H7ClO4S |
| Molecular Weight | 198.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 198.62 g/mol gives 1,1-dioxo-1λ⁶-thiolan-3-yl carbonochloridate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1,1-dioxo-1λ⁶-thiolan-3-yl carbonochloridate (CAS 77691-76-0), molecular formula C5H7ClO4S and molecular weight 198.62 g/mol, is a CATO reference standard with documented purity and traceability.
1,1-dioxo-1λ⁶-thiolan-3-yl carbonochloridate (C5H7ClO4S) contains a carbohydrate-derived structure, a sulfone group, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 1,1-dioxo-1λ⁶-thiolan-3-yl carbonochloridate 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 | C5H7ClO4S |
| Molecular Weight | 198.62 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1-(3-Fluorophenyl)cyclopropanecarbonyl chloride (CAS 361211-23-6)
- 2-Chloro-4-fluorophenyl cyclopropyl ketone (CAS 898790-18-6)
- (4-Chloro-2-fluorophenyl)(cyclopropyl)methanone (CAS 898790-24-4)
- 2-Chloro-6-cyclopropyl-3-fluorobenzaldehyde (CAS 1980783-94-5)
- 6,7-Dimethyl 5-phenyl-1H,3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CAS 339102-17-9)
- 5-Bromo-2-(2-nitro-4-(trifluoromethyl)phenoxy)benzaldehyde (CAS 525569-71-5)
- 5-Bromo-6-methylindole-3-acetic Acid (CAS 1388058-00-1)
- (R)-1-Formylpyrrolidine-2-carboxylic acid (CAS 899900-53-9)
- 1-Benzyl-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 1206969-98-3)
- 5',5''-Bis(3,5-dicarboxyphenyl)-[1,1':3',1'':3'',1'''-quaterphenyl]-3,3''',5,5'''-tetracarboxylic acid (CAS 1569900-75-9)
- 8-bromo-6-fluoro-1H-quinolin-2-one (CAS 1343369-88-9)
- NADPH tetrasodium salt (CAS 2646-71-1)
- 5-(2-Bromo-5-fluorophenyl)-1H-pyrazol-3-amine (CAS 1137456-13-3)
- Semaglutide Impurity 187 (CAS CATO-C4X-2226187)
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