1-Fluoro-2-isocyanato-3-(trifluoromethyl)benzene CAS 190774-53-9
| CAS No. | 190774-53-9 |
| Molecular Formula | C8H3F4NO |
| Molecular Weight | 205.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-Fluoro-2-isocyanato-3-(trifluoromethyl)benzene (CAS 190774-53-9), molecular formula C8H3F4NO and molecular weight 205.11 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H3F4NO, 1-Fluoro-2-isocyanato-3-(trifluoromethyl)benzene contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 205.11 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
As a certified reference material (CRM), 1-Fluoro-2-isocyanato-3-(trifluoromethyl)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 | C8H3F4NO |
| Molecular Weight | 205.11 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2011 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Fluoro Standards
- 5-Fluoro-2-(trifluoromethoxy)benzonitrile (CAS 1092460-82-6)
- 2-Fluoro-4-isocyanato-1-(trifluoromethyl)benzene (CAS 116370-63-9)
- 3-Fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CAS 116671-72-8)
- 2-Fluoro-6-(trifluoromethoxy)benzonitrile (CAS 1236217-50-7)
- 2-Fluoro-4-(trifluoromethoxy)benzonitrile (CAS 1240256-78-3)
- 4-Fluoro-2-(trifluoromethoxy)benzonitrile (CAS 1323966-32-0)
- 1352999-93-9 3-Fluoro-5-(trifluoromethoxy)benzonitrile MFCD18783224 (CAS 1352999-93-9)
- 6-Fluoro-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine (CAS 1369334-14-4)
Recommended Standards
- 2-fluoro-1-isocyanato-3-(trifluoromethyl)benzene (CAS 190774-52-8)
- 4-Fluoro-2-(trifluoromethyl)phenylisocyanate (CAS 190774-54-0)
- 2-Fluoro-6-hydroxy-4-(trifluoromethyl)benzonitrile (CAS 1823891-92-4)
- 2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS 886498-08-4)
- 2-(Trifluoroacetyl)pyridine (contains gem-diol) (CAS 33284-17-2)
- 4-Cyclopropyl-6-(piperazin-1-yl)-1,3,5-triazin-2-amine (CAS 1875335-68-4)
- 5-(Ethoxycarbonyl)-2-hydroxybenzoic acid (CAS 90844-13-6)
- 3-(Difluoromethoxy)-2-nitroaniline (CAS 1261605-09-7)
- 2-Ethynyl-1-methoxy-4-methylbenzene (CAS 104971-07-5)
- [1,1′-Binaphthalen]-2-amine, 2′-[bis(4-methylphenyl)phosphino]-5,5′,6,6′,7,7′,8,8′-octahydro-N,N-dimethyl-, (1R)- (CAS 328074-69-7)
- 3-Methoxypropane-1-sulfonamide (CAS 926295-50-3)
- N-Nitrosopiperazine (CAS 5632-47-3)
- 3-(3-Ethoxy-4-methoxyphenyl)propanoic acid (CAS 31282-89-0)
- Peptide Impurity 34 (CAS 21282-09-7)
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