2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole CAS 253440-41-4
| CAS No. | 253440-41-4 |
| Molecular Formula | C18H18ClN3S |
| Molecular Weight | 343.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 343.87 g/mol gives 2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole (CAS 253440-41-4) is a high-purity analytical reference standard with the molecular formula C18H18ClN3S and a molecular weight of 343.87 g/mol.
Based on its molecular formula C18H18ClN3S, 2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 343.87 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), 2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole 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 | C18H18ClN3S |
| Molecular Weight | 343.87 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1-({4-chloro-5-phenylthieno[2,3-d]pyrimidin-2-yl}methyl)piperidine (CAS 731815-64-8)
- (AlphaS,7aR)-2-Oxoclopidogrel (CAS 1416696-48-4)
- 5-(4-Tert-butylphenyl)-4-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 748793-35-3)
- Bis(iodomethyl)(methyl)phosphine oxide (CAS 13916-01-3)
- Ethyl 5-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CAS 35220-24-7)
- 3-Chloro-2-fluorothioanisole (CAS 214057-24-6)
- N-[(2-methoxy-5-sulfamoylphenyl)methyl]propanamide (CAS 1094429-54-5)
- 5-(Aminomethyl)-2-hydroxy-N-methylbenzamide (CAS 1243365-70-9)
- Potassium Ethyl-p-hydroxyl Benzoate Solution, 100pm (CAS 36457-19-9)
- 8-Hydroxybergapten (CAS 1603-47-0)
- 4-Methoxybutan-2-one (CAS 6975-85-5)
- N-(3-chloro-4-methoxybenzyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (CAS 866132-07-2)
- 3-Bromo-2-isobutylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-one (CAS 1383626-27-4)
- Semaglutide impurity 71 (CAS CATO-C4X-222671)
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