4-chloro-3,6,8,9-tetraazatricyclo[7.4.0.0²,⁷]trideca-1,3,5,7,10,12-hexaene CAS 475641-54-4
| CAS No. | 475641-54-4 |
| Molecular Formula | C9H5ClN4 |
| Molecular Weight | 204.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-chloro-3,6,8,9-tetraazatricyclo[7.4.0.0²,⁷]trideca-1,3,5,7,10,12-hexaene (C9H5ClN4) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 204.62 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 4-chloro-3,6,8,9-tetraazatricyclo[7.4.0.0²,⁷]trideca-1,3,5,7,10,12-hexaene (CAS 475641-54-4), a certified reference material (molecular formula C9H5ClN4, MW 204.62 g/mol) for analytical method development and quality control.
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 4-chloro-3,6,8,9-tetraazatricyclo[7.4.0.0²,⁷]trideca-1,3,5,7,10,12-hexaene 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 | C9H5ClN4 |
| Molecular Weight | 204.62 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
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- 3-(1H-pyrrol-1-yl)propan-1-ol (CAS 50966-69-3)
- Tricetinidin Chloride(Sh) (CAS 65618-21-5)
- 2-Ethyl-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiazole (CAS 1365939-35-0)
- Methyl 4-(3-bromopropoxy)-3-methoxybenzoate (CAS 343308-46-3)
- (4-Chlorophenyl)(isopropyl)sulfane (CAS 7205-62-1)
- 4-Carboxy-2,5-difluorophenylboronic acid (CAS 1966890-13-0)
- Semaglutide238 (CAS CATO-C4X-2226238)
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