3-Chloro-4-fluorobenzotrifluoride CAS 78068-85-6
| CAS No. | 78068-85-6 |
| Molecular Formula | C7H3ClF4 |
| Molecular Weight | 198.55 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 3-Chloro-4-fluorobenzotrifluoride.
3-Chloro-4-fluorobenzotrifluoride (CAS 78068-85-6), molecular formula C7H3ClF4 and molecular weight 198.55 g/mol, is a CATO reference standard with documented purity and traceability.
3-Chloro-4-fluorobenzotrifluoride (C7H3ClF4) contains fluorine/chlorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
As a certified reference material (CRM), 3-Chloro-4-fluorobenzotrifluoride 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 | C7H3ClF4 |
| Molecular Weight | 198.55 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.) | 1979 |
| Halogen Content | F/Cl-containing |
Related Chloro Standards
- 1-Chloro-3-fluoro-5-(trifluoromethyl)benzene (CAS 1005764-23-7)
- 1-Chloro-3-fluoro-2-(trifluoromethyl)benzene (CAS 103889-37-8)
- 109957-97-3 2-Chloro-1-fluoro-3-(trifluoromethyl)benzene DTXSID50597490 (CAS 109957-97-3)
- 1-Chloro-2-fluoro-3-(trifluoromethyl)benzene (CAS 1099597-93-9)
- 2-Chloro-1-fluoro-3-(trifluoromethyl)benzene (CAS 1099597-97-3)
- 5-Chloro-2-(difluoromethyl)-1,3-difluorobenzene (CAS 1204296-04-7)
- 1-Chloro-4-(difluoromethyl)-2,5-difluorobenzene (CAS 1214326-75-6)
- 1-Chloro-3-(difluoromethyl)-2,4-difluorobenzene (CAS 1221272-82-7)
Recommended Standards
- 2-Chloro-5-fluorobenzotrifluoride (CAS 89634-75-3)
- 4-Chloro-2,3,5,6-tetrafluorotoluene (CAS 60903-82-4)
- 2-Chloro-4-fluoro-1-(trifluoromethyl)benzene (CAS 94444-58-3)
- 4-Chloro-2-fluoro-1-(trifluoromethyl)benzene (CAS 94444-59-4)
- 1-[5-bromo-2-(difluoromethoxy)phenyl]hexahydropyrimidine-2,4-dione (CAS 2703771-62-2)
- O,O,S-Triethyl Phosphorothiolate (CAS 1186-09-0)
- 3-Amino-6-(dimethylamino)indolin-2-one (CAS 1218304-58-5)
- Posaconazole Impurity 272 (CAS CATO-C4X-1208272)
- 5-(3-Chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CAS 1240570-60-8)
- 2-(5,6-Dimethyl-1h-benzo[d]imidazol-1-yl)acetic acid (CAS 500872-62-8)
- 2-(Diethylamino)-6-methyl-5-nitropyrimidin-4(1H)-one (CAS 648414-39-5)
- 5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine (CAS 1334146-08-5)
- 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-[(1E)-(hydroxyamino)methylidene]-4,5-dihydro-1,2-oxazole-3-carboxamide (CAS 338410-26-7)
- D-[Ala]24-Semaglutide (CAS CATO-C4X-2226126)
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