4-Bromo-2,5-bis(trifluoromethyl)benzonitrile CAS 1805971-70-3
| CAS No. | 1805971-70-3 |
| Molecular Formula | C9H2BrF6N |
| Molecular Weight | 318.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 318.01 g/mol gives 4-Bromo-2,5-bis(trifluoromethyl)benzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 4-Bromo-2,5-bis(trifluoromethyl)benzonitrile (CAS 1805971-70-3), a certified reference material (molecular formula C9H2BrF6N, MW 318.01 g/mol) for analytical method development and quality control.
Structurally, 4-Bromo-2,5-bis(trifluoromethyl)benzonitrile (C9H2BrF6N) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 318.01 g/mol, it falls into the moderately-high-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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H2BrF6N |
| Molecular Weight | 318.01 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 |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 4-Bromo-2,6-bis(trifluoromethyl)benzonitrile (CAS 1804370-95-3)
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Recommended Standards
- 5'-Iodo-2',2,2,2-tetrafluoroacetophenone (CAS 886502-65-4)
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- 3-Iodo-5,5,6,6,6-pentafluorohexan-1-ol (CAS 526223-11-0)
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- 2-Methyl-N-(4-methylbenzyl)-1-propanamine hydrochloride (CAS 1049678-05-8)
- 5-(Benzo[b]thiophen-3-yl)isoxazol-3-amine (CAS 1499843-05-8)
- Nafamostat impurity 84 (CAS 82955-97-3)
- 2-Ethyl-2-phenyloxirane (CAS 2245-25-2)
- Dipentan-3-yl benzene-1,2-dicarboxylate (CAS 123518-33-2)
- 3,5-Dimethylisoxazole-4-sulfonyl Chloride (CAS 80466-79-1)
- 7-Methyl-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 74136-38-2)
- 3-methylhex-5-en-2-one (CAS 2550-22-3)
- Semaglutide impurity 194 (CAS CATO-C4X-2226194)
Why CATO?
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