3-Isothiocyanato-1-(2-methyl-benzyl)-1h-pyrazole CAS 1004193-32-1
| CAS No. | 1004193-32-1 |
| Molecular Formula | C12H11N3S |
| Molecular Weight | 229.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 3-Isothiocyanato-1-(2-methyl-benzyl)-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.
3-Isothiocyanato-1-(2-methyl-benzyl)-1h-pyrazole (CAS 1004193-32-1), molecular formula C12H11N3S and molecular weight 229.30 g/mol, is a CATO reference standard with documented purity and traceability.
3-Isothiocyanato-1-(2-methyl-benzyl)-1h-pyrazole (C12H11N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. Its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C12H11N3S |
| Molecular Weight | 229.30 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | 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 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Isothiocyanato Standards
- 4-Isothiocyanato-1-(4-methyl-benzyl)-1h-pyrazole (CAS 1004193-45-6)
- 4-Isothiocyanato-1-(3-methyl-benzyl)-1h-pyrazole (CAS 1004193-51-4)
- 3-Isothiocyanato-1-(4-methyl-benzyl)-1h-pyrazole (CAS 1004194-38-0)
- 5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile (CAS 951753-87-0)
- 4-Isothiocyanato-N-methylbenzenesulfonamide (CAS 223785-90-8)
- 1-Isothiocyanato-9-methylsulfanylnonane (CAS 4430-40-4)
- 1-Isothiocyanato-8-(methylsulfinyl)octane (CAS 75272-81-0)
- 1-Isothiocyanato-4-[(trifluoromethyl)thio]benzene (CAS 189281-95-6)
Recommended Standards
- Tert-butyl 8-fluoro-3-azabicyclo[3.2.1]Octane-3-carboxylate (CAS 2231672-88-9)
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- Tert-butyl 1-fluoro-2-azabicyclo[2.2.2]Octane-2-carboxylate (CAS 2231673-35-9)
- N-Benzyl-4-fluoro-N-methylbenzylamine (CAS 404-50-2)
- 3,4,5-Trimethoxy-<SUP>13</SUP>C<SUB>3</SUB>-benzyl alcohol (CAS 1346603-81-3)
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- 2-[3-(4-Methyl-1-piperazinyl)propoxy]benzaldehyde hydrochloride (CAS 1609400-71-6)
- N-Fmoc-L-aspartic Acid beta-Benzyl Ester alpha-Perfluorophenyl Ester (CAS 86061-03-2)
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- 2-(Aminomethyl)spiro[2.5]Octane-1-carboxylic acid (CAS 2386845-37-8)
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