1-(tert-Butyl)-3-methyl-1H-pyrazole-4-carboxylic acid CAS 113100-47-3
| CAS No. | 113100-47-3 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-(tert-Butyl)-3-methyl-1H-pyrazole-4-carboxylic acid (CAS 113100-47-3), molecular formula C9H14N2O2 and molecular weight 182.22 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, 1-(tert-Butyl)-3-methyl-1H-pyrazole-4-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 182.22 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO manufactures 1-(tert-Butyl)-3-methyl-1H-pyrazole-4-carboxylic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 2 |
Recommended Standards
- 1-Butyl-3-methyl-1h-pyrazole-4-carboxylic acid (CAS 113100-46-2)
- 3-(Naphthalen-2-yl)acrylaldehyde (CAS 113388-98-0)
- 1-(But-3-yn-1-yl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane (CAS 112532-68-0)
- 2-Methyl-3-(prop-2-yn-1-yl)quinoxaline (CAS 113477-56-8)
- 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one (CAS 438481-91-5)
- 3-Carbamoyl-4-cyclopropoxybenzoic acid (CAS 1243408-64-1)
- Potassium trifluoro(4-(methoxy(methyl)carbamoyl)phenyl)borate (CAS 1644635-87-9)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com