1-(2-Chloro-6-fluorobenzyl)-4-(chloromethyl)-1H-1,2,3-triazole CAS 1250762-96-9
| CAS No. | 1250762-96-9 |
| Molecular Formula | C10H8Cl2FN3 |
| Molecular Weight | 260.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(2-Chloro-6-fluorobenzyl)-4-(chloromethyl)-1H-1,2,3-triazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(2-Chloro-6-fluorobenzyl)-4-(chloromethyl)-1H-1,2,3-triazole (CAS 1250762-96-9), molecular formula C10H8Cl2FN3 and molecular weight 260.10 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(2-Chloro-6-fluorobenzyl)-4-(chloromethyl)-1H-1,2,3-triazole (C10H8Cl2FN3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 260.10 g/mol, it falls into the medium-molecular-weight range. 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.
As a certified reference material (CRM), 1-(2-Chloro-6-fluorobenzyl)-4-(chloromethyl)-1H-1,2,3-triazole 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 | C10H8Cl2FN3 |
| Molecular Weight | 260.10 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 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.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
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Recommended Standards
- 4-Bromo-3-fluoro-N-isopropylbenzamide (CAS 1249540-08-6)
- 2-Aminobenzoxazole-6-boronic Acid Pinacol Ester (CAS 1260091-04-0)
- 5-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile (CAS 1247726-68-6)
- 2-Bromo-N-(4-fluorophenyl)-N-methylpropanamide (CAS 1283551-73-4)
- (R)-3-(2-Chloro-4-nitro-1H-imidazol-1-yl)-2-hydroxy-2-methylpropyl 4-Nitrobenzoate 681490-95-9 (CAS 681490-95-9)
- 4-Amino-3-hydroxybenzonitrile (CAS 55586-26-0)
- 5-(Chloromethyl)-8-methyl-2-pentyl-4H-[1,3]dioxino[4,5-c]pyridine hydrochloride (CAS 2487255-62-7)
- 632-46-2 Benzoic acid, 2,6-dimethyl- 2,6-Dimethylbenzoic acid 4-09-00-01798 (Beilstein Handbook Reference) BRN 1863791 EINECS 211-177-0 (CAS 632-46-2)
- 5-Amino-6-(dimethylamino)-2-methylpyrimidin-4(1H)-one (CAS 773803-60-4)
- 4-(tert-Butoxycarbonyl)-2,2-dimethylmorpholine-3-carboxylic acid (CAS 1416437-93-8)
- 1311254-72-4 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(4aH)-one DTXSID10735932 (CAS 1311254-72-4)
- 7-Cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CAS 1458593-81-1)
- N-Hexyl-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CAS 21097-51-8)
- Semaglutide impurity 32 (CAS CATO-C4X-222632)
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