4-Iodo-3-methyl-5-(trifluoromethyl)-1H-pyrazole CAS 855343-07-6
| CAS No. | 855343-07-6 |
| Molecular Formula | C5H4F3IN2 |
| Molecular Weight | 276.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Iodo-3-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 855343-07-6), molecular formula C5H4F3IN2 and molecular weight 276.00 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Iodo-3-methyl-5-(trifluoromethyl)-1H-pyrazole (C5H4F3IN2) contains a nitrile group, fluorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 276.00 g/mol, it falls into the medium-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C5H4F3IN2 |
| Molecular Weight | 276.00 g/mol |
| Appearance | 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 2 |
Related Iodo Standards
- 4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 1194377-09-7)
- 3-iodo-1-(2,2,2-trifluoro-ethyl)-1h-pyraZole (CAS 1354704-54-3)
- 4-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 1443279-46-6)
- 3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 1823829-61-3)
- 4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole (CAS 918483-35-9)
- 4-Iodo-2-methyl-1-(trifluoromethyl)-1H-imidazole (CAS 2755894-07-4)
- 5-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 898288-96-5)
- 5-Iodo-1-methyl-4-(trifluoromethyl)-1H-pyrazole (CAS 2137730-49-3)
Recommended Standards
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- 3-Bromo-4-(perfluoroethyl)pyridine (CAS 1816286-96-0)
- 1,4-Cyclohexanedione-2,2,3,3,5,5,6,6-d8 1,4-Cyclohexanedione-d8 23034-25-5 (CAS 23034-25-5)
- Alendronate EP Impurity B (CAS 14265-44-2)
- Llicol (CAS 72715-02-7)
- 3-(2,4-Dimethylphenyl)-2-mercapto-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 519152-05-7)
- 3-Propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CAS 77211-52-0)
- 5-Ethyl-3-(2-(piperazin-1-yl)quinolin-3-yl)-1,2,4-oxadiazole (CAS 1431729-23-5)
- 1-(4-Chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione (CAS 65599-34-0)
- 3-(1H-Pyrrol-1-yl)-5-(trifluoromethyl)-1-benzothiophene-2-carbohydrazide (CAS 1227955-18-1)
- (S)-N-((S)-1-((S)-2-Carbamoylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl)-5-oxopyrrolidine-2-carboxamide (CAS 49760-92-1)
- Neuropeptide FF (5-8) (CAS 152050-35-6)
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