1,8-Diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene CAS 245-47-6
| CAS No. | 245-47-6 |
| Molecular Formula | C11H8N2 |
| Molecular Weight | 168.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1,8-Diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1,8-Diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene (CAS 245-47-6), a certified reference material (molecular formula C11H8N2, MW 168.19 g/mol) for analytical method development and quality control.
Structurally, 1,8-Diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene (C11H8N2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group. 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 168.19 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 1,8-Diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene 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 | C11H8N2 |
| Molecular Weight | 168.19 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | 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.) | 1957 |
| Nitrogen Atoms | 2 |
Related Diazatricyclo Standards
- 3,4-diazatricyclo[5.2.1.0²⁶]deca-2(6),4-dien-5-ylmethanol (CAS 1350295-17-8)
- 8,9-diazatricyclo[4.3.0.0²⁴]nona-1(6),7-diene-7-carboxylic acid (CAS 1372560-52-5)
- 1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene (CAS 27158-93-6)
- 1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8-tetraene (CAS 5622-83-3)
- 1,10-Diazatricyclo[6.4.1.0,4,13]trideca-4,6,8(13)-triene (CAS 28740-91-2)
- 1,4-diazatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8-triene (CAS 86663-66-3)
- 4-Oxa-1,10-diazatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-triene (CAS 1267225-15-9)
- 4-oxa-1,12-diazatricyclo[7.3.0.0²,⁶]dodeca-2,5,7,9,11-pentaene (CAS 41559-58-4)
Recommended Standards
- 1,5-Dioxaspiro[5.5]undec-3-en-2-one (CAS 94691-90-4)
- 1-[2-(dimethylamino)ethyl]-2,5-dihydro-1h-pyrrole-2,5-dione (CAS 5135-58-0)
- 1,3-Diazaspiro[4.5]decane-2,4-dione (CAS 702-62-5)
- 1-Amino-3-cyanonaphthalene (CAS 91135-42-1)
- Ethyl 3-((chlorosulfonyl)amino)benzoate (CAS 651749-33-6)
- 3-(1-tert-butoxycarbonylazetidin-3-yl)prop-2-ynoic acid (CAS 2059954-20-8)
- 4-Aminoheptane (CAS 16751-59-0)
- Caspofungin Impurity 18 (CAS CATO-C4X-157518)
- 4-Hydroxy-2-methoxy-N-methylbenzamide (CAS 1190090-24-4)
- Thalidomide-C3-O-C2-amine HCl (CAS 2357109-64-7)
- Relugolix Impurity 178 (CAS CATO-C4X-2429178)
- 4-(M-tolylamino)tetrahydrofuran-3-ol (CAS 1178684-75-7)
- 3-Fluoro-2,4-diiodopyridine (CAS 153035-06-4)
- Ginseng Tetrapeptide (CAS 178553-95-2)
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