2-(3-Bromobenzoyl)malononitrile CAS 530110-97-5
| CAS No. | 530110-97-5 |
| Molecular Formula | C10H5BrN2O |
| Molecular Weight | 249.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 249.06 g/mol gives 2-(3-Bromobenzoyl)malononitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-(3-Bromobenzoyl)malononitrile (CAS 530110-97-5), a certified reference material (molecular formula C10H5BrN2O, MW 249.06 g/mol) for analytical method development and quality control.
2-(3-Bromobenzoyl)malononitrile (C10H5BrN2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 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.
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 | C10H5BrN2O |
| Molecular Weight | 249.06 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Bromobenzoyl Standards
- 2-(2-Bromobenzoyl)propanedinitrile (CAS 1481188-19-5)
- 2-(4-Bromobenzoyl)malononitrile (CAS 1498812-40-0)
- 2-(4-Bromobenzoyl)furan (CAS 13365-64-5)
- 2-(2-Bromobenzoyl)oxazole (CAS 898759-79-0)
- 2-(3-Bromobenzoyl)oxazole (CAS 898759-81-4)
- (3-Bromobenzoyl)pyrrolidine (CAS 346721-91-3)
- 1-(4-Bromobenzoyl)pyrrolidine (CAS 5543-27-1)
- 3-(4-Bromobenzoyl)acrylic acid (CAS 39644-80-9)
Recommended Standards
- 4-Bromo-3-(3,3-difluoroazetidin-1-yl)pyridine (CAS 1779133-61-7)
- 3-Amino-5,6-dichloro-N-(diaminomethylene)pyrazine-2-carboxamide (CAS 76599-75-2)
- 3-Bromo-5-(3,3-difluoroazetidin-1-yl)pyridine (CAS 1779133-56-0)
- 3-Bromo-4-(1,3-oxazol-5-yl)benzonitrile (CAS 2092056-87-4)
- 5-Iodo-1,3-dimethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one (CAS 139487-04-0)
- 3-Amino-2-methylbutanoic acid (CAS 32723-74-3)
- 4-Methyl-3-(n-methylsulfamoyl)benzoic acid (CAS 90610-74-5)
- [(2-chloroethyl)(dimethylamino)phosphoryl]dimethylamine (CAS 14518-01-5)
- 3-Methoxy-4-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzaldehyde (CAS 760183-53-7)
- 2-(4-Bromo-3-methyl-1h-pyrazol-1-yl)acetohydrazide (CAS 957006-07-4)
- tert-Butyl (2S,5S)-5-ethyl-2-methylpiperazine-1-carboxylate (CAS 1404311-93-8)
- (2E)-3-(4-Chlorophenyl)-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one (CAS 5102-36-3)
- 4-[(1-methyl-1H-pyrazol-3-yl)amino]benzoic acid (CAS 1501642-68-7)
- Peptide 440 (CAS CATO-CPTD788440)
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