1-(2,6-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole CAS 1004193-58-1
| CAS No. | 1004193-58-1 |
| Molecular Formula | C13H11Cl2N3S |
| Molecular Weight | 312.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1-(2,6-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole 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.
1-(2,6-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole (CAS 1004193-58-1) is a high-purity analytical reference standard with the molecular formula C13H11Cl2N3S and a molecular weight of 312.22 g/mol.
Based on its molecular formula C13H11Cl2N3S, 1-(2,6-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole 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 312.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H11Cl2N3S |
| Molecular Weight | 312.22 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Dichloro Standards
- 1-(2,4-Dichloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole (CAS 1004193-43-4)
- 2,5-Dichloro-n-(2-methoxyethyl)-3,6-dimethylbenzenesulfonamide (CAS 1111515-55-9)
- 2-(4,5-Dichloro-1H-imidazol-1-yl)-N-(4-isopropylphenyl)acetamide (CAS 650615-56-8)
- 2,2-Dichloro-N-(2,6-dimethylphenyl)-N-[(1h-pyrazol-1-yl)methyl]acetamide (CAS 75972-27-9)
- 2,6-dichloro-3-[(propan-2-yl)sulfamoyl]benzoic acid (CAS 1036577-87-3)
- 2,4-Dichloro-8-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CAS 1263870-59-2)
- Methyl 3,6-dichloro-4-((pyridin-2-ylmethyl)amino)picolinate (CAS 1259329-41-3)
- Methyl 3,6-dichloro-4-((pyridin-3-ylmethyl)amino)picolinate (CAS 1259329-54-8)
Recommended Standards
- 1-(3,4-Dichlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1h-pyrazole (CAS 1006482-53-6)
- N,N-bis(2-chloroethyl)-4-methoxybenzenesulfonamide (CAS 86357-59-7)
- 2-[(2-methoxybenzyl)amino]ethanol (CAS 109926-15-0)
- N-(3-chlorophenyl)-2-((4-chlorophenyl)thio)acetamide (CAS 306732-55-8)
- tert-Butyl 4-(2-formyl-3-nitrophenyl)-piperazine-1-carboxylate (CAS 1774893-51-4)
- 1-Isopropoxy-4-nitrobenzene (CAS 26455-31-2)
- (R)-3-(4-Fluorophenyl)-2-((4-fluorophenyl)amino)propanoic acid (CAS 915134-73-5)
- 3-Chloro-1H-indole-2-carbohydrazide (CAS 441801-15-6)
- Methyl 5-oxospiro[2.3]hexane-1-carboxylate (CAS 1518220-73-9)
- 4-Pyrrolidinosulfonyl-2-trifluoromethylphenylboronic acid (CAS 2096338-19-9)
- 1-methyl-2-(pyrrolidin-2-yl)-1H-1,3-benzodiazole dihydrochloride (CAS 1193389-65-9)
- 5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine (CAS 300819-51-6)
- 1-(Benzo[d]thiazol-2-yl)-3-methyl-1H-pyrazole-4-carboxylic acid (CAS 1427027-39-1)
- Semaglutide Impurity 12 (CAS CATO-C4X-222612)
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