1-Iodo-4-(perfluoropropan-2-yl)benzene CAS 40161-59-9
| CAS No. | 40161-59-9 |
| Molecular Formula | C9H4F7I |
| Molecular Weight | 372.02 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-Iodo-4-(perfluoropropan-2-yl)benzene (CAS 40161-59-9), molecular formula C9H4F7I and molecular weight 372.02 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-Iodo-4-(perfluoropropan-2-yl)benzene (C9H4F7I) contains fluorine/iodine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 372.02 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 1-Iodo-4-(perfluoropropan-2-yl)benzene 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 | C9H4F7I |
| Molecular Weight | 372.02 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | F/I-containing |
Related Iodo Standards
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- N-(3-iodo-5-(trifluoromethyl)pyridin-2-yl)pivalamide (CAS 1002916-67-7)
- 5-Iodo-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine (CAS 1706436-70-5)
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- 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one (CAS 1009240-72-5)
- 3-Iodo-1-[(1-methyl-4-piperidinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 1411763-96-6)
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Recommended Standards
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- 3-(Fluoromethyl)-3,4-dihydroisoquinolin-1(2H)-one (CAS 247050-21-1)
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