4-Chloro-5-methyl-1-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)-1,2-dihydro-3h-pyrazol-3-imine CAS 1174886-12-4
| CAS No. | 1174886-12-4 |
| Molecular Formula | C12H17ClN6 |
| Molecular Weight | 280.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-Chloro-5-methyl-1-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)-1,2-dihydro-3h-pyrazol-3-imine (C12H17ClN6) 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-Chloro-5-methyl-1-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)-1,2-dihydro-3h-pyrazol-3-imine (CAS 1174886-12-4) is a high-purity analytical reference standard with the molecular formula C12H17ClN6 and a molecular weight of 280.76 g/mol.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C12H17ClN6 |
| Molecular Weight | 280.76 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 6 |
Related Chloro Standards
- 4-chloro-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1H-pyrazol-3-amine (CAS 1174855-08-3)
- 2-Chloro-n-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}acetamide (CAS 1087792-02-6)
- 4-(7-Chloro-1-isopropyl-1H-benzo[d]imidazol-2-yl)butanoic acid (CAS 1183464-41-6)
- 2-Chloro-n-({2-[(2-oxopyrrolidin-1-yl)methyl]phenyl}methyl)acetamide (CAS 1334148-72-9)
- Methyl 8-chloro-2,2-dimethylspiro[chroman-4,1-cyclopropane]-6-carboxylate (CAS 1350761-59-9)
- 1365963-49-0 2-Chloro-N-[4-(piperidin-1-ylcarbonyl)phenyl]acetamide MFCD22056564 (CAS 1365963-49-0)
- (5-Chloro-1H-indol-3-ylmethyl)-carbamic acid tert-butyl ester (CAS 1380571-78-7)
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Recommended Standards
- Chlorpropamide-d4 (CAS 1794779-79-5)
- Busulfan Impurity 27 (CAS CATO-C4X-145527)
- 2-(4-Chlorobenzyl)-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3(2H)-one (CAS 1049144-05-9)
- Chlorphenamine Impurity 46 (CAS CATO-C4X-118846)
- Ethyl 3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylate (CAS 1353500-82-9)
- 2-Chloro-5-methoxy-3-methylpyrazine (CAS 1393541-24-6)
- 3-(Aminomethyl)azetidin-3-ol (CAS 1692018-50-0)
- 2-(1-Benzyl-5-methylpyrrolidin-3-yl)ethan-1-amine (CAS 1423029-37-1)
- 5-Hydroxyeicosatetraenoate (CAS 70608-72-9)
- N-(2-Ethylphenyl)-3-(5-(2-nitrophenyl)furan-2-yl)acrylamide (CAS 853347-84-9)
- 1-Ethyl-3,5-dimethyl-1H-pyrazol-4-amine hydrochloride (CAS 1185298-43-4)
- Benzyl (2S,4S)-1-Boc-4-hydroxypyrrolidine-2-carboxylate (CAS 132622-90-3)
- 6-Bromo-3-chloro-2-methyl-2H-indazole (CAS 1243419-67-1)
- Allo-D-Ile12-Tirzepatide (CAS CATO-CPTD788963)
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