6-Fluoro-2-(trifluoromethyl)quinazolin-4(3H)-one CAS 35982-57-1
| CAS No. | 35982-57-1 |
| Molecular Formula | C9H4F4N2O |
| Molecular Weight | 232.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 6-Fluoro-2-(trifluoromethyl)quinazolin-4(3H)-one.
6-Fluoro-2-(trifluoromethyl)quinazolin-4(3H)-one (CAS 35982-57-1) is a high-purity analytical reference standard with the molecular formula C9H4F4N2O and a molecular weight of 232.13 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 6-Fluoro-2-(trifluoromethyl)quinazolin-4(3H)-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 232.13 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.
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 | C9H4F4N2O |
| Molecular Weight | 232.13 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1967 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Fluoro Standards
- 3-(4-Fluoro-2-(trifluoromethyl)phenyl)-1,2,4-oxadiazole (CAS 1262413-10-4)
- 3-(4-Fluoro-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole (CAS 1262413-14-8)
- 3-Fluoro-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzoic acid (CAS 2407339-57-3)
- 5-Fluoro-4-(trifluoromethyl)quinazolin-2(1H)-one (CAS 277302-03-1)
- 6-Fluoro-4-(trifluoromethyl)quinazolin-2(1H)-one (CAS 214288-10-5)
- 5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole (CAS 1261268-98-7)
- 5-[3-fluoro-5-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole (CAS 874784-07-3)
- 4-Fluoro-1,2-bis(trifluoromethyl)benzene (CAS 1092349-75-1)
Recommended Standards
- 5,5-Dimethyl-2-(4-propylphenyl)-1,3,2-dioxaborinane (CAS 574755-16-1)
- D-Ribitol-5-phosphate (CAS 35320-17-3)
- 4-[(2,2,3,3-Tetrafluoropropoxy)methyl]-1,3-dioxolan-2-one (CAS 879496-46-5)
- n-((5-Bromothiophen-2-yl)methyl)cyclopropanamine (CAS 1016744-09-4)
- 2-(2-Fluorophenyl)cyclopropan-1-amine (CAS 1157555-63-9)
- 2,5-Diiodo-4-nitro-1H-imidazole (CAS 19183-12-1)
- 4-Methoxyquinazolin-7-amine (CAS 1556373-89-7)
- 3-(Tert-butyl)-6-methylbenzene-1,2-diol (CAS 2213-67-4)
- Racemic-(1S,3S,4S,5R)-2-(Tert-Butoxycarbonyl)-5-Fluoro-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid (CAS 1272757-14-8)
- 3-Amino-2-(trifluoromethyl)pyridine-4-methanol (CAS 1227582-15-1)
- 1-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3,3-dimethylazetidin-2-one (CAS 27983-77-3)
- 2-Propenal, 3-(dimethylamino)-2-fluoro- 761-88-6 CTK2G8079 (CAS 761-88-6)
- (4-Fluoro-2-(trifluoromethoxy)phenyl)methanol (CAS 1242252-68-1)
- Neuropeptide GE (CAS 134748-04-2)
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