1-Fluoro-3-methyl-5-(trifluoromethyl)benzene CAS 1099598-02-3
| CAS No. | 1099598-02-3 |
| Molecular Formula | C8H6F4 |
| Molecular Weight | 178.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-Fluoro-3-methyl-5-(trifluoromethyl)benzene (CAS 1099598-02-3), molecular formula C8H6F4 and molecular weight 178.13 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-Fluoro-3-methyl-5-(trifluoromethyl)benzene (C8H6F4) contains fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 178.13 g/mol, it falls into the medium-molecular-weight range. 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).
As a certified reference material (CRM), 1-Fluoro-3-methyl-5-(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 | C8H6F4 |
| Molecular Weight | 178.13 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.) | 1989 |
| Halogen Content | F-containing |
Related Fluoro Standards
- 3-Fluoro-2-(trifluoromethyl)toluene (CAS 116850-34-1)
- 2-Fluoro-1-methyl-4-(trifluoromethyl)benzene (CAS 1204296-09-2)
- 2-Fluoro-1-methyl-3-(trifluoromethyl)benzene (CAS 1214331-63-1)
- 1-Fluoro-4-methyl-2-(trifluoromethyl)benzene (CAS 1214385-64-4)
- 4-Fluoro-1-methyl-2-(trifluoromethyl)benzene (CAS 141872-92-6)
- 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene (CAS 158364-83-1)
- 1-Fluoro-2-(2,2,2-trifluoroethyl)benzene (CAS 93524-64-2)
- 1-Fluoro-3-(2,2,2-trifluoroethyl)benzene (CAS 81577-08-4)
Recommended Standards
- CCHM704353 (CAS 197305-97-8)
- 2-(1,1-Difluoroethyl)-1,4-difluorobenzene (CAS 1138445-05-2)
- 1,1,1-Trimethylolpropane Phosphate (CAS 1005-93-2)
- 2-(1,1-Difluoroethyl)-1,3-difluorobenzene (CAS 1138445-06-3)
- [1,2,4]Triazolo[4,3-a]pyridine-6-boronic Acid Pinacol Ester (CAS 1314137-24-0)
- TBDI-DFBT (CAS 2138496-98-5)
- 4-(Methylthio)pyridin-2(1H)-one (CAS 1018443-25-8)
- N-Benzo[1,3]dioxol-5-yl-succinamic acid (CAS 313393-56-5)
- 1-(3-Aminopyridin-2-yl)-1H-benzo[d]imidazol-2(3H)-one (CAS 1956307-13-3)
- 2,5-Dichloro-N-propylbenzamide (CAS 329930-87-2)
- Tetraethylammonium chloride tetrahydrate (CAS 6024-76-6)
- (4,8-Bis((2-ethylhexyl)oxy)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane) (CAS 1160823-78-8)
- N-Pht-Phe-OH (CAS 5123-55-7)
- [D-Ser8]-Semaglutide A (CAS CATO-C4X-2226116)
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