1,3-Dichloro-2-(1,1-difluoroethyl)-4-fluorobenzene CAS 1138444-99-1
| CAS No. | 1138444-99-1 |
| Molecular Formula | C8H5Cl2F3 |
| Molecular Weight | 229.03 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 1,3-Dichloro-2-(1,1-difluoroethyl)-4-fluorobenzene.
1,3-Dichloro-2-(1,1-difluoroethyl)-4-fluorobenzene (CAS 1138444-99-1), molecular formula C8H5Cl2F3 and molecular weight 229.03 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1,3-Dichloro-2-(1,1-difluoroethyl)-4-fluorobenzene (C8H5Cl2F3) is characterized by fluorine/chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C8H5Cl2F3 |
| Molecular Weight | 229.03 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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/Cl-containing |
Related Dichloro Standards
- 2,4-Dichloro-1-(2,2,2-trifluoroethyl) benzene 2,4-dichloro-1-(2,2,2-trifluoroethyl)-benzene 1092350-09-8 (CAS 1092350-09-8)
- 1,2-Dichloro-4-(2,2,2-trifluoroethyl)benzene (CAS 1099597-16-6)
- 1,3-Dichloro-2-(2,2,2-trifluoroethyl)benzene (CAS 1099598-25-0)
- 1,5-Dichloro-2-(1,1-difluoroethyl)-4-fluorobenzene (CAS 1138444-97-9)
- 2,3-Dichloro-1-methyl-4-(trifluoromethyl)benzene (CAS 115571-58-9)
- 1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene (CAS 115571-59-0)
- 1,5-Dichloro-2-methyl-4-(trifluoromethyl)benzene (CAS 115571-61-4)
- 1,3-Dichloro-2-methyl-4-(trifluoromethyl)benzene (CAS 115571-64-7)
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