2-Iodo-5-(trifluoromethyl)pyrimidine CAS 112930-95-7
| CAS No. | 112930-95-7 |
| Molecular Formula | C5H2F3IN2 |
| Molecular Weight | 273.98 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Iodo-5-(trifluoromethyl)pyrimidine is closely related to a nitrile group, fluorine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-Iodo-5-(trifluoromethyl)pyrimidine (CAS 112930-95-7), molecular formula C5H2F3IN2 and molecular weight 273.98 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C5H2F3IN2, 2-Iodo-5-(trifluoromethyl)pyrimidine contains a nitrile group, fluorine/iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 273.98 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C5H2F3IN2 |
| Molecular Weight | 273.98 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 2 |
Related Iodo Standards
- 3-Iodo-5-(trifluoromethyl)pyridazine (CAS 1049024-00-1)
- 3-Iodo-6-(trifluoromethyl)pyridazine (CAS 1206524-33-5)
- 4-Iodo-6-(trifluoromethyl)pyrimidine (CAS 1209314-40-8)
- 5-Iodo-4-(trifluoromethyl)pyrimidine (CAS 1260843-81-9)
- 2-Iodo-3-trifluoromethyl-pyrazine (CAS 1286744-15-7)
- 2-Iodo-4-(trifluoromethyl)pyrimidine (CAS 1379347-59-7)
- 2-Iodo-6-(trifluoromethyl)pyrazine, 97% (CAS 141492-94-6)
- 5-Iodo-2-(trifluoromethyl)pyrimidine (CAS 1443533-55-8)
Recommended Standards
- 3-Chloro-2,4,5-trifluoro-6-nitrobenzoyl chloride (CAS 111230-49-0)
- 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine (CAS 98136-20-0)
- 2-bromo-4-(bromomethyl)-1-fluorobenzene (CAS 78239-71-1)
- 1-Bromo-2,3,4,5-tetrafluoro-6-nitrobenzene (CAS 5580-83-6)
- 3,5-Difluoroisonicotinoyl Chloride (CAS 383363-42-6)
- 5-Cyclopropyl-1-ethyl-1h-pyrazole (CAS 1245822-76-7)
- 3-(Cyclopropylmethyl)-5-hydroxybenzamide (CAS 1243284-46-9)
- N-(4-(4-Cyanophenyl)thiazol-2-yl)-2-(methylsulfonyl)benzamide (CAS 896362-93-9)
- 2-(Trifluoromethyl)quinoline 2-Trifluoromethyl-quinoline 347-42-2 A25656 (CAS 347-42-2)
- N-(4-tert-Butylphenyl)-4-(2-{[(4-tert-butylphenyl)carbamothioyl]amino}ethyl)piperazine-1-carbothioamide (CAS 866038-43-9)
- N-(4-chloro-2-methylphenyl)tetrahydro-2H-pyran-4-amine (CAS 1157010-35-9)
- 2-Chloro-N-methoxy-N-methyl-5-((2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-yl)benzamide (CAS 842133-81-7)
- 4-azaspiro[2.5]octan-7-one;hydrochloride (CAS 2306277-85-8)
- Semaglutide impurity 42 (CAS CATO-C4X-222642)
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