6-(4-Chlorobenzyl)-5-methyl-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid CAS 1779133-21-9
| CAS No. | 1779133-21-9 |
| Molecular Formula | C14H10ClN3O3S |
| Molecular Weight | 335.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 6-(4-Chlorobenzyl)-5-methyl-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid.
6-(4-Chlorobenzyl)-5-methyl-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid (CAS 1779133-21-9), molecular formula C14H10ClN3O3S and molecular weight 335.77 g/mol, is a CATO reference standard with documented purity and traceability.
6-(4-Chlorobenzyl)-5-methyl-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid (C14H10ClN3O3S) contains a nitrogen-containing heterocyclic scaffold, 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.
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 6-(4-Chlorobenzyl)-5-methyl-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid 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 | C14H10ClN3O3S |
| Molecular Weight | 335.77 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- N-(2-chlorobenzyl)naphtho[2,1-b]furan-2-carboxamide (CAS 478249-68-2)
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- 3-(1-(4-Chlorobenzyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (CAS 400076-00-8)
- 2-(4-Chlorobenzyl)-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-31-7)
- N-(4-Chlorobenzyl)-3,5-dinitrobenzamide (CAS 446855-41-0)
- 3-(2-Chlorobenzyl)-1-tosylazetidine (CAS 1354952-50-3)
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- 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 577765-41-4)
Recommended Standards
- Ethyl 7-chloro-4-oxo-1-(thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS 174726-87-5)
- (1S,2S)-[3-Chloro-1-(3,5-difluoro-benzyl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester (CAS 388072-80-8)
- 2-Chloro-N-((4-nitrophenyl)carbamothioyl)benzamide (CAS 144487-31-0)
- 2-{[4-(4-chlorophenyl)-5-(furan-2-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 893725-75-2)
- Sedaxane (CAS 874967-67-6)
- Naphyrone HCl (CAS 850352-11-3)
- (R)-6-(4-Fluorophenyl)-N,N-dimethyl-3-(3-(pyridin-3-yl)-1H,3H-pyrrolo[1,2-c]thiazole-7-carbonyl)-1H-indole-1-carboxamide (CAS 161395-33-1)
- 4-(4-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H-imidazol-5-yl)pyridine (CAS 152121-46-5)
- (2-Ethyl-6-fluoropyridin-4-yl)boronic acid (CAS 2225175-64-2)
- Bleomycin - API Standards (CAS 11056-06-7)
- 2-((3-(4-Fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(piperidin-1-yl)ethan-1-one (CAS 863453-08-1)
- GlcNAcβ(1-2)Man-α-ethylazide (CAS 1858224-15-3)
- 2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine (CAS 927384-44-9)
- Des-[Oct-γ-Glu-AEEA-AEEA]-Semaglutide (CAS CATO-C4X-2226112)
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