3-(Tert-butyl)-4-iodo-1H-pyrazole CAS 1339231-45-6
| CAS No. | 1339231-45-6 |
| Molecular Formula | C7H11IN2 |
| Molecular Weight | 250.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(Tert-butyl)-4-iodo-1H-pyrazole is closely related to a nitrile group, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-(Tert-butyl)-4-iodo-1H-pyrazole (CAS 1339231-45-6), a certified reference material (molecular formula C7H11IN2, MW 250.08 g/mol) for analytical method development and quality control.
3-(Tert-butyl)-4-iodo-1H-pyrazole (C7H11IN2) contains a nitrile group, iodine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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).
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-(Tert-butyl)-4-iodo-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.
Physical & Chemical Properties
| Molecular Formula | C7H11IN2 |
| Molecular Weight | 250.08 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 6-(3,4-Dichlorophenyl)pyrimidine-4-carbonitrile, 97% (CAS 1319175-50-2)
- 1-(sec-Butyl)-4-iodo-1H-pyrazole (CAS 1339666-74-8)
- 4-Bromo-2,6-diflluoro-N,N-dimethyl-benzenemethanamine (CAS 1247006-25-2)
- 5-Iodo-1-(2-methylpropyl)-1H-pyrazole (CAS 1345471-53-5)
- (2-(4-Fluorophenyl)thiazol-4-yl)methanamine hydrochloride (CAS 1187932-83-7)
- 1-Chloro-3-(1-trifluoromethyl-cyclopropyl)-benzene (CAS 1936191-72-8)
- (3-Methylbenzoyl)-l-valine (CAS 956958-87-5)
- n,1-Dicyclopropyl-1h-benzo[d]imidazol-4-amine (CAS 1258649-97-6)
- N-(3-Amino-2-methylphenyl)-3-propoxybenzamide (CAS 1020056-74-9)
- Methyl 3,4-dibromo-5-methylbenzoate (CAS 1160574-54-8)
- 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-1-methyl-6-oxo-, methyl ester (CAS 1934931-10-8)
- Tert-butyl 3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate (CAS 1260789-12-5)
- Metoclopramide Impurity 24 (CAS CATO-C4X-141524)
- Peptide Impurity 12 (CAS CATO-CPTD788812)
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