3-Chloro-4-(3,4-dichlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene CAS 866137-13-5
| CAS No. | 866137-13-5 |
| Molecular Formula | C15H7Cl3N2S |
| Molecular Weight | 353.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Chloro-4-(3,4-dichlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene (CAS 866137-13-5), molecular formula C15H7Cl3N2S and molecular weight 353.65 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Chloro-4-(3,4-dichlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene (C15H7Cl3N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 353.65 g/mol, it falls into the moderately-high-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), 3-Chloro-4-(3,4-dichlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene 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 | C15H7Cl3N2S |
| Molecular Weight | 353.65 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- trans-4-[[2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-yl]amino]cyclohexanol (CAS 1497419-90-5)
- (3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(3-(trifluoromethyl)phenyl)methanone (CAS 338770-58-4)
- 2-Chloro-N-(3-hydroxypropyl)-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 2365242-55-1)
- (S)-4-(2-Chloro-6-(iodomethyl)pyrimidin-4-yl)-3-methylmorpholine, 97% (CAS 1009628-22-1)
- (R)-4-(2-Chloro-6-(iodomethyl)pyrimidin-4-yl)-3-methylmorpholine (CAS 1233339-72-4)
- 7-Chloro-6-((2,4-dichlorophenyl)amino)quinoline-5,8-dione (CAS 147115-34-2)
- 3-Chloro-2-iodophenyl diethylcarbamate (CAS 863870-77-3)
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Recommended Standards
- tert-Butyl (2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate (CAS 330794-10-0)
- (2E)-3-(3-Bromophenyl)-1-[(4-chlorophenyl)sulfanyl]prop-2-en-1-one (CAS 882073-25-8)
- tert-Butyl (3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate (CAS 1620228-06-9)
- 3-Bromo-2-(((4-chlorophenyl)thio)methyl)imidazo[1,2-a]pyridine (CAS 300695-61-8)
- 2-(5-Chloro-2-oxobenzo[d]oxazol-3(2H)-yl)-N-(isoxazol-3-yl)acetamide (CAS 902254-95-9)
- 4-Amino-5,8-difluoroquinoline-3-carboxylic acid (CAS 1242260-55-4)
- 4-Bromo-7-fluoro-5-methyl-1H-indole (CAS 1449581-02-5)
- Dimethyl 4-hydroxypyridine-2,6-dicarboxylate hydrate (CAS 855740-52-2)
- 3-(Cyclopropylmethoxy)-2-(methylamino)phenol (CAS 1243368-50-4)
- 1-Vinylpyrimidine-2,4(1H,3H)-dione (CAS 15765-17-0)
- 1,1-Bis(trimethylsilyl)-3-(4-fluorophenyl)-2-thiourea (CAS 71457-03-9)
- Methyl 2-amino-4-(3-nitrophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carboxylate (CAS 939889-11-9)
- N4-(4-aminophenyl)-N5-methyl-1H-imidazole-4,5-dicarboxamide (CAS 436088-53-8)
- Semaglutide impurity 29 (CAS CATO-C4X-222629)
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