4-iodo-3-(trifluoromethyl)benzonitrile CAS 161320-00-9
| CAS No. | 161320-00-9 |
| Molecular Formula | C8H9F3IN |
| Molecular Weight | 303.06 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-(trifluoromethyl)benzonitrile (CAS 161320-00-9), molecular formula C8H9F3IN and molecular weight 303.06 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrile group, fluorine/iodine substitution, 4-iodo-3-(trifluoromethyl)benzonitrile is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 303.06 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C8H9F3IN |
| Molecular Weight | 303.06 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 |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| 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.) | 2003 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 1 |
Related iodo Standards
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- 3-Iodo-4-methyl-6-nitro-1H-indazole (CAS 1000342-56-2)
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- 3-Iodo-6-methyl-5-nitro-2H-indazole (CAS 1000343-55-4)
- 4-iodo-2-(trifluoromethyl)benzonitrile (CAS 101066-87-9)
- 3-Iodo-4-methyl-5-nitro-1H-indazole (CAS 1167056-16-7)
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Recommended Standards
- 3-Iodo-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CAS 1458593-85-5)
- 5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid (CAS 1638760-45-8)
- 2-(1-(3,4-Dichlorophenyl)-2,2,2-trifluoroethoxy)acetic acid (CAS 1437454-66-4)
- 3-Iodo-2-methyl-5-nitro-2h-indazole (CAS 1638764-45-0)
- TTTTB6-2CHO (CAS 2243047-94-9)
- 5-(((4-(Tert-butyl)phenyl)thio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 477866-41-4)
- (4-(Azepan-1-ylmethyl)thiazol-2-yl)methanamine (CAS 933712-18-6)
- 2,4-dichloro-6-fluoro-thieno[2,3-d]pyrimidine (CAS 2659313-20-7)
- 1171543-35-3 Methyl 4-[3-(tert-butylamino)imidazo[1,2-a]pyrimidin-2-yl]benzoate MFCD14281634 (CAS 1171543-35-3)
- Benzyl 1H-indol-5-ylcarbamate (CAS 6964-97-2)
- Fosaprepitant Impurity 6 (CAS 172822-01-4（free base）)
- (5-Amino-1-phenyl-1H-pyrazol-4-yl)(4-methoxyphenyl)methanone (CAS 54606-40-5)
- 3,5-Dimethoxy-1h-pyrazole (CAS 119224-75-8)
- Insulin Degludec Impurity 9 (CAS CATO-C4X-21579)
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