4-(((3-Bromophenyl)amino)methyl)-3-fluorobenzonitrile CAS 1021116-54-0
| CAS No. | 1021116-54-0 |
| Molecular Formula | C14H10BrFN2 |
| Molecular Weight | 305.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(((3-Bromophenyl)amino)methyl)-3-fluorobenzonitrile (C14H10BrFN2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 4-(((3-Bromophenyl)amino)methyl)-3-fluorobenzonitrile (CAS 1021116-54-0), a certified reference material (molecular formula C14H10BrFN2, MW 305.15 g/mol) for analytical method development and quality control.
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 | C14H10BrFN2 |
| Molecular Weight | 305.15 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromophenyl Standards
- (2E)-3-(3-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (CAS 1638607-61-0)
- (2E)-1-(3-Bromophenyl)-3-(2-fluorophenyl)prop-2-en-1-one (CAS 1802376-97-1)
- (2E)-1-(3-Bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one (CAS 796988-08-4)
- (2E)-1-(3-Bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one (CAS 358656-02-7)
- (2E)-1-(4-Bromophenyl)-3-(2-fluorophenyl)prop-2-en-1-one (CAS 297138-53-5)
- (2E)-1-(4-Bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one (CAS 590419-77-5)
- (2E)-1-(4-Bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one (CAS 98991-32-3)
- (2E)-3-(4-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (CAS 350474-66-7)
Recommended Standards
- Tert-butyl 2-bromo-6-fluoro-3-methoxybenzoate (CAS 2635937-47-0)
- Diethyl 2-(2,4-dichlorophenyl)malonate (CAS 111544-93-5)
- Tert-butyl ((5-bromo-3-fluoropyridin-2-yl)methyl)carbamate (CAS 916736-71-5)
- 1,3-diethyl 2-(3,5-dichlorophenyl)propanedioate (CAS 1186194-50-2)
- (2,5-Di-tert-butylphenyl)boronic acid (CAS 1252935-67-3)
- Methyl 3,6-difluoro-2-(trifluoromethyl)benzoate (CAS 2366994-08-1)
- 4,6-Dimethyl-5-nitropyrimidin-2-ol (CAS 1080650-02-7)
- Erlotinib Impurity 108 (CAS 311-28-4)
- 6-Hydroxy-4-methylbenzothiazole (CAS 1190317-27-1)
- Ethyl 5-amino-1,2-dimethyl-1H-imidazole-4-carboxylate (CAS 1249354-09-3)
- (1S,2S,4S,5R)-1-(3,5-bis(trifluoromethyl)benzyl)-2-((R)-hydroxy(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium chloride (CAS 2260606-75-3)
- 1-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one (CAS 1342614-44-1)
- (1S,2R,4S,5R)-Methyl 4-hydroxybicyclo[3.1.0]hexane-2-carboxylate (CAS 2412819-23-7)
- Semaglutide Impurity 3 (CAS CATO-C4X-22263)
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