Tert-butyl (4-cyano-2-iodo-5-(trifluoromethyl)phenyl)carbamate CAS 1190198-36-7
| CAS No. | 1190198-36-7 |
| Molecular Formula | C13H12F3IN2O2 |
| Molecular Weight | 412.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Tert-butyl (4-cyano-2-iodo-5-(trifluoromethyl)phenyl)carbamate.
Tert-butyl (4-cyano-2-iodo-5-(trifluoromethyl)phenyl)carbamate (CAS 1190198-36-7), molecular formula C13H12F3IN2O2 and molecular weight 412.15 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Tert-butyl (4-cyano-2-iodo-5-(trifluoromethyl)phenyl)carbamate (C13H12F3IN2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C13H12F3IN2O2 |
| Molecular Weight | 412.15 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Indium(III) acetylacetonate (CAS 14405-45-9)
- tert-Butyl 3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate (CAS 1228183-72-9)
- Empagliflozin Impurity 136 (CAS CATO-C4X-1065136)
- Guanosine-<SUP>15</SUP>N<SUB>5</SUB>-5′-monophosphate sodium salt (CAS 1257650-86-4)
- tert-Butyl 3-(thiazol-2-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS 1515578-92-3)
- 4-Benzyl-3,4,5,6-tetrahydro-1H-benzo[f][1,4]oxazocine (CAS 1333113-99-7)
- 1-(Boc-amino)-3-bromo-1-(4-fluorophenyl)propane (CAS 924817-75-4)
- (R,E)-(3-((tert-Butoxycarbonyl)amino)but-1-en-1-yl)boronic acid (CAS 2324786-36-7)
- 115404-57-4 Lanost-7-en-3-one, 24,25-epoxy-23-hydroxy-, (13alpha,14beta,17alpha,20S,23R,24S)- Niloticin (CAS 115404-57-4)
- PEG6-(CH2CO2H)2 (CAS 77855-76-6)
- 2-Benzyl-3-chloro-5-(trifluoromethyl)pyridine (CAS 338419-96-8)
- 2-Piperidin-1-yl-7-(2-thienyl)[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one (CAS 1105192-52-6)
- 2-[(1-(2-pyridinylÂ)-ethylÂ)sulfoÂ]-5-methylÂbenzÂimidazole (CAS 69417-07-8)
- Calcineurin Autoinhibitory Peptide (CAS 148067-21-4)
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