2-[2-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-chloro-1H-1,3-benzodiazol-1-yl]ethan-1-ol CAS 791105-69-6
| CAS No. | 791105-69-6 |
| Molecular Formula | C19H15ClN4O4S |
| Molecular Weight | 430.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-[2-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-chloro-1H-1,3-benzodiazol-1-yl]ethan-1-ol 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.
CATO supplies 2-[2-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-chloro-1H-1,3-benzodiazol-1-yl]ethan-1-ol (CAS 791105-69-6), a certified reference material (molecular formula C19H15ClN4O4S, MW 430.86 g/mol) for analytical method development and quality control.
2-[2-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-chloro-1H-1,3-benzodiazol-1-yl]ethan-1-ol (C19H15ClN4O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 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.
Physical & Chemical Properties
| Molecular Formula | C19H15ClN4O4S |
| Molecular Weight | 430.86 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related H Standards
- 2-(1,3-Benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CAS 71255-78-2)
- 5-[3-(2H-1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CAS 1775535-60-8)
- 3-[[2-[[(1R)-1-(1,3-Benzodioxol-5-yl)propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]-2-hydroxy-N,N- (CAS 473725-95-0)
- 4-[(1,3-benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenesulfonate (CAS 329778-26-9)
- 4-(2H-1,3-Benzodioxol-5-yl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5H-indeno[1,2-b]pyridin-5-one (CAS 866136-01-8)
- 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 625377-40-4)
- 1775455-89-4 1-(1,3-Benzodioxol-5-ylcarbonyl)-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine MFCD28506549 (CAS 1775455-89-4)
- 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethyl)-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 866039-66-9)
Recommended Standards
- (E)-{[6-(4-chlorobenzenesulfonyl)pyridin-3-yl]methylidene}amino 4-methoxybenzoate (CAS 338967-12-7)
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- 5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazole (CAS 551921-56-3)
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- Ethyl 2-Amino-5-fluorobenzoate (CAS 391-93-5)
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