3-(4-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine CAS 109098-07-9
| CAS No. | 109098-07-9 |
| Molecular Formula | C13H14ClN3 |
| Molecular Weight | 247.72 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 3-(4-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.
3-(4-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine (CAS 109098-07-9), molecular formula C13H14ClN3 and molecular weight 247.72 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution, 3-(4-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 247.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C13H14ClN3 |
| Molecular Weight | 247.72 g/mol |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- N-benzyl-6-chloro-N-ethylpyridazin-3-amine (CAS 1094315-96-4)
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- 4-(4-Chlorobenzylamino)-1,2-phenylenediamine (CAS 1076199-81-9)
- (3-((3-Chlorobenzyl)amino)phenyl)methanol (CAS 1152899-09-6)
- 2-(3,5-Bis(trifluoromethyl)phenyl)propan-2-ol (CAS 67570-38-1)
- 2-(4-Ethoxybenzylidene)-6-hydroxybenzofuran-3(2h)-one (CAS 623122-67-8)
- (S)-5-Methyl-4-phenyl-2-(pyrrolidin-2-yl)-1H-imidazole (CAS 781662-30-4)
- 7-Bromoisoquinoline-3-carboxylic Acid (CAS 660830-63-7)
- 5-Bromo-2-methoxy-DL-phenylalanine (CAS 603105-64-2)
- 1,1,1-trichloro-2-nitroethane (CAS 64326-81-4)
- 7-Bromo-1H-indole-6-carboxylic acid (CAS 1360921-60-3)
- ((2-Chloro-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl)ethynyl)triisopropylsilane (CAS 2856022-05-2)
- (S)-1-Benzyloxycarbonyl-4-oxoproline Methyl Ester (CAS 16217-15-5)
- Semaglutide impurity 108 (CAS CATO-C4X-2226108)
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