1,3-Difluoro-5-(trifluoromethyl)benzene CAS 401-85-4
| CAS No. | 401-85-4 |
| Molecular Formula | C7H3F5 |
| Molecular Weight | 182.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to fluorine substitution, an aromatic ring system, 1,3-Difluoro-5-(trifluoromethyl)benzene is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 182.09 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
1,3-Difluoro-5-(trifluoromethyl)benzene (CAS 401-85-4), molecular formula C7H3F5 and molecular weight 182.09 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C7H3F5 |
| Molecular Weight | 182.09 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| 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.) | 1957 |
| Halogen Content | F-containing |
Related Difluoro Standards
- 5,6-Difluoro-1H-indene-1,3(2H)-dione (CAS 1454686-04-4)
- 5,7-Difluoro-2H-indazole-3-carbaldehyde (CAS 1000343-25-8)
- 4,7-Difluoro (1H)indazole-3-carbaldehyde (CAS 1082042-06-5)
- 2,6-Difluoro-4-((hydroxyimino)methyl)benzonitrile (CAS 2416376-31-1)
- 4,6-Difluoro-1H-indazole-3-carbaldehyde (CAS 887567-80-8)
- Ethyl 2,2-difluoro-3-hydroxypentanoate (CAS 1092693-68-9)
- 5,7-Difluoro-3,4-dihydronaphthalen-1(2H)-one (CAS 110931-79-8)
- 2,2-Difluoro-3-hydroxy-5-methylhexanoic acid (CAS 1248009-70-2)
Recommended Standards
- 1,1,2,2-Tetrafluoroethane-1-sulfonic acid (CAS 464-14-2)
- 1,4-Dihydrofuro[3,4-b]pyrazine-2,3,5,7-tetraone (CAS 58084-26-7)
- 3-chloro-4-(chloromethyl)-5-methyl-pyridine (CAS 1393533-05-5)
- 2,4-Difluorobenzotrifluoride (CAS 64248-61-9)
- (R,R,R)-(+)-Xyl-SKP (CAS 1429939-31-0)
- 2-Methyl-2-(o-tolyl)propanenitrile (CAS 30568-28-6)
- Methyl 2-(4-(cyclopropanecarbonyl)phenyl)acetate (CAS 35982-02-6)
- 3-Bromo-beta-oxo-benzenepropanal Sodium Salt 933054-29-6 CTK8F0245 (CAS 933054-29-6)
- 2-(6-Bromopyridin-3-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CAS 1446407-06-2)
- Methyl 2-formyl-1H-pyrrole-3-carboxylate (CAS 19075-68-4)
- 3-(4-BRomophenoxy)piperidine (CAS 946714-44-9)
- N-cyclooctyltetrahydro-2H-thiopyran-4-amine (CAS 1153349-00-8)
- 5-Chloro-4-fluoro-1H-indole-3-carbaldehyde (CAS 1227597-57-0)
- Des-Pro36-Tirzepatide (CAS CATO-CPTD788937)
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