3-Fluoro-5-(trifluoromethyl)phenyl Isocyanate CAS 302912-19-2
| CAS No. | 302912-19-2 |
| Molecular Formula | C8H3F4NO |
| Molecular Weight | 205.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3-Fluoro-5-(trifluoromethyl)phenyl Isocyanate (CAS 302912-19-2), a certified reference material (molecular formula C8H3F4NO, MW 205.11 g/mol) for analytical method development and quality control.
Based on its molecular formula C8H3F4NO, 3-Fluoro-5-(trifluoromethyl)phenyl Isocyanate 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. 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 | 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.) | 2025 |
| 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)
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- 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
- 3-Fluoro-5-(3-(trifluoromethyl)-3H-diazirin-3-yl)pyridine (CAS 2231675-72-0)
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- 3-Fluoro-4-(trifluoromethoxy)benzonitrile (CAS 886498-94-8)
- 6-(Difluoromethoxy)-2,3-difluorobenzonitrile (CAS 221202-16-0)
- 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxylic acid (CAS 1228665-94-8)
- 4-(2-Aminoethyl)-3-chloropyridin-2-amine (CAS 1393554-33-0)
- 2-Propenoic acid, homopolymer, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (CAS 123661-24-5)
- 2-(5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl)aniline (CAS 1170187-87-7)
- 1,4,10-Trioxa-7,13-diazacyclopentadecane-8,12-dione (CAS 30989-20-9)
- Methyl 10-chlorodecanoate (CAS 71194-27-9)
- 7-Methoxy-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazine (CAS 25910-78-5)
- 2,3,5-Trifluoro-4-hydrazinylbenzohydrazide (CAS 1823962-17-9)
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