2-Chloro-6-nitro-4-(trifluoromethyl)phenol CAS 69741-64-6
| CAS No. | 69741-64-6 |
| Molecular Formula | C7H3ClF3NO3 |
| Molecular Weight | 241.55 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Chloro-6-nitro-4-(trifluoromethyl)phenol (CAS 69741-64-6), molecular formula C7H3ClF3NO3 and molecular weight 241.55 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C7H3ClF3NO3, 2-Chloro-6-nitro-4-(trifluoromethyl)phenol contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 241.55 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C7H3ClF3NO3 |
| Molecular Weight | 241.55 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 sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 1-Chloro-2-(difluoromethoxy)-5-fluoro-4-nitrobenzene (CAS 106969-10-2)
- 1-Chloro-4-nitro-2-(trifluoromethoxy)benzene (CAS 113421-97-9)
- 4-CHloro-2-nitro-5-(trifluoromethyl)phenol (CAS 1192021-48-9)
- 4-CHloro-2-nitro-3-(trifluoromethyl)phenol (CAS 1192021-50-3)
- 2-Chloro-5-(trifluoromethoxy)isonicotinic acid (CAS 1221171-77-2)
- 6-Chloro-3-(trifluoromethoxy)picolinic acid (CAS 1221171-83-0)
- 6-Chloro-5-(trifluoromethoxy)picolinic acid (CAS 1221171-90-9)
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Recommended Standards
- 2-Chloro-1-nitro-4-(trifluoromethoxy)benzene (CAS 85578-47-8)
- 4-(bromomethyl)-2-chloro-1-methoxybenzene (CAS 320407-92-9)
- 2-(bromomethyl)-1-chloro-4-methoxy-benzene (CAS 3771-13-9)
- 5-Chloro-2-(trifluoromethoxy)nitrobenzene (CAS 448-38-4)
- Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide (CAS 889946-17-2)
- 2-Bromo-3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine (CAS 1804488-87-6)
- N2，N6-bis(6-bromopyridin-2-yl)-N2，N6-dimethylpyridine-2,6-diamine (CAS 918634-17-0)
- Ethyl 4-(diethylamino)-8-isopropylquinoline-3-carboxylate (CAS 1279213-98-7)
- 3-((5-Phenyl-1,3,4-oxadiazol-2-yl)thio)benzo[b]thiophene 1,1-dioxide (CAS 667901-18-0)
- 1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(4-methylpiperazin-1-yl)propan-2-ol dihydrochloride (CAS 352444-90-7)
- 5-Acetylfuran-3-carbonitrile (CAS 133674-67-6)
- Pizotifen (CAS 15574-96-6)
- (3-Amino-1,7-naphthyridin-4-yl)dimethylphosphine oxide (CAS 2820501-68-4)
- Tetrapeptide-30/Tegopep (CAS 1036207-61-0)
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