3-Chloro-N-(3-chloropropyl)-4-methylaniline CAS 333985-68-5
| CAS No. | 333985-68-5 |
| Molecular Formula | C10H13Cl2N |
| Molecular Weight | 218.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Chloro-N-(3-chloropropyl)-4-methylaniline (CAS 333985-68-5), molecular formula C10H13Cl2N and molecular weight 218.12 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H13Cl2N, 3-Chloro-N-(3-chloropropyl)-4-methylaniline contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 218.12 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 3-Chloro-N-(3-chloropropyl)-4-methylaniline 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 | C10H13Cl2N |
| Molecular Weight | 218.12 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 2,6-DICHLORO-N,N-DIETHYLBENZENAMINE (CAS 67888-72-6)
- 4-(3,4-Dichlorophenyl)butan-1-amine (CAS 732189-89-8)
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- 4-(tert-Butyl)-2,6-dichloroaniline (CAS 85911-37-1)
- 3-(Aminomethyl)thietane 1,1-dioxide hydrochloride (CAS 1909318-80-4)
- (S)-3-((tert-Butoxycarbonyl)amino)hex-5-enoic acid (CAS 270263-03-1)
- 2-(2-Chloropyrimidin-5-yl)propan-2-ol (CAS 110100-09-9)
- Fosaprepitant impurity 54（R,S,S） (CAS CATO-C4X-116854)
- (3r)-3-Amino-3-(2,3-dimethylphenyl)propanoic acid hydrochloride (CAS 1354970-75-4)
- 1-(2-Ethoxyethyl)-2,3-dihydro-1H-indole-2,3-dione (CAS 303065-45-4)
- 3-Methyl-1H-indazol-4-amine (CAS 945397-02-4)
- Ethyl 2-(3-iodopyridin-2-yl)acetate (CAS 1245645-70-8)
- 56792-59-7 27-hydroxy cholestenone (CAS 56792-59-7)
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