4-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile CAS 16994-06-2
| CAS No. | 16994-06-2 |
| Molecular Formula | C9H6ClN |
| Molecular Weight | 163.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (C9H6ClN) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
4-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (CAS 16994-06-2), molecular formula C9H6ClN and molecular weight 163.60 g/mol, is a CATO reference standard with documented purity and traceability.
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), 4-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile 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 | C9H6ClN |
| Molecular Weight | 163.60 g/mol |
| Appearance | Off-white to pale 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 methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1961 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorobicyclo Standards
- 2-Chlorobicyclo[4.2.0]Octa-1,3,5-triene-7-carbonitrile (CAS 103447-24-1)
- 3-chlorobicyclo[3.2.1]oct-3-en-2-ol (CAS 90003-08-0)
- 3-chlorobicyclo[3.2.1]oct-3-en-2-one (CAS 51145-45-0)
- 4-Chlorobicyclo[2.2.2]octane-1-carbaldehyde (CAS 94994-26-0)
- 4-Chlorobicyclo[4.2.0]octa-1,3,5-trien-7-amine (CAS 1781073-33-3)
- 2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile (CAS 6945-87-5)
- N-({3-chlorobicyclo[1.1.1]pentan-1-yl}methyl)acetamide (CAS 1886967-36-7)
- 5-Chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one (CAS 81447-63-4)
Recommended Standards
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- 3-Bromo-4-chloro-5-methoxybenzaldehyde (CAS 2091216-35-0)
- 3-Chloro-5-(difluoromethoxy)pyridine (CAS 130115-88-7)
- 3-(2,5-Dimethylphenyl)propiophenone (CAS 898794-72-4)
- 2-(4-Chlorophenyl)-5-(4-fluorobenzoyl)-1,3-thiazole (CAS 339008-18-3)
- (2,6-Dibromo-4-isopropylphenyl)(methyl)sulfane (CAS 2624416-86-8)
- (1S,3aR,6aS)-2-((benzyloxy)carbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid (CAS 956332-61-9)
- 7-Bromo-6-methoxychroman-4-amine (CAS 1780970-80-0)
- 4-(tert-Butyl)-2-(chloromethyl)-1-methylbenzene (CAS 23203-13-6)
- (2E)-2-Phenyl-3-(thiophen-2-yl)-N-[(thiophen-2-yl)methyl]prop-2-enamide (CAS 478078-64-7)
- Semaglutide impurity 205 (CAS CATO-C4X-2226205)
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