4-(Trifluoroacetyl)benzyl bromide CAS 78126-14-4
| CAS No. | 78126-14-4 |
| Molecular Formula | C9H6BrF3O |
| Molecular Weight | 267.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 267.04 g/mol gives 4-(Trifluoroacetyl)benzyl bromide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(Trifluoroacetyl)benzyl bromide (CAS 78126-14-4), molecular formula C9H6BrF3O and molecular weight 267.04 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(Trifluoroacetyl)benzyl bromide (C9H6BrF3O) contains a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 267.04 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).
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 | C9H6BrF3O |
| Molecular Weight | 267.04 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, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | F/Br-containing |
Related Trifluoroacetyl Standards
- 3397-30-6 N-(2,2,2-Trifluoroacetyl)glycine 2,5-Dioxo-1-pyrrolidinyl Ester N-Trifluoroacetylglycine N-Succinimidyl Ester N-[2-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-2,2,2-trifluoroacetamide N-[[N-(Trifluoroacetyl)glycyl]oxy]succinimide (CAS 3397-30-6)
- Benzyl 2-(2,2,2-trifluoroacetyl)hydrazinecarboxylate (CAS 866478-74-2)
- (2,2,2-Trifluoroacetyl)-L-phenylalanine (CAS 350-09-4)
- (4-[4-(Trifluoroacetyl)piperazin-1-yl]phenyl)amine (CAS 193903-35-4)
- 6-(2,2,2-Trifluoroacetyl)pyridine-3-sulfonyl chloride (CAS 2817695-75-1)
- N-Trifluoroacetyl-L-methionine methyl ester (CAS 1830-73-5)
- N-Trifluoroacetyl-D-glucosamine (CAS 36875-26-0)
- 3-Phenyl-4-[(Trifluoroacetyl)Amino]Butanoic Acid (CAS 1781867-67-1)
Recommended Standards
- 3-Fluoro-4-iodo-2-methoxyaniline (CAS 2092595-35-0)
- 4-Bromo-6-(difluoromethyl)-2-fluoro-3-methylbenzaldehyde (CAS 2781912-16-9)
- 3-Bromo-4-methyl-5-(trifluoromethyl)benzaldehyde (CAS 2383384-91-4)
- 4-Bromo-6-nitro-1H-indazole-3-carbonitrile (CAS 885518-59-2)
- 4-Chloro-1-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 1823941-80-5)
- N-(2-Isopropylphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 477318-75-5)
- 1-(7-Methyl-2-phenyl[1,2,4]triazolo[1,5-a]-pyrimidin-6-yl)ethanone (CAS 878994-16-2)
- 2-[4-(1h-imidazol-1-ylmethyl)phenyl]benzoic acid (CAS 929972-79-2)
- Tofacitinib Impurity 118 (CAS 1615709-89-1)
- Ethyl 2-(acetylamino)-4-pentynoate (CAS 23235-05-4)
- 5-(Aminomethylene)-3-methyl-2-thioxothiazolidin-4-one (CAS 73855-56-8)
- (4-(5-Isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(thiophen-3-yl)methanone (CAS 1208679-08-6)
- (2-(2-(Dimethylamino)ethoxy)pyridin-4-yl)boronic acid (CAS 1189546-04-0)
- Peptide Impurity 09 X TFA Salt (CAS CATO-CPTD788809)
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