Methyl 3-Bromo-4-(cyanomethyl)benzoate CAS 1069114-89-1
| CAS No. | 1069114-89-1 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-Bromo-4-(cyanomethyl)benzoate (C10H8BrNO2) 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, the carboxyl group imparts weak acidity; 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 Methyl 3-Bromo-4-(cyanomethyl)benzoate (CAS 1069114-89-1), a certified reference material (molecular formula C10H8BrNO2, MW 254.08 g/mol) for analytical method development and quality control.
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 | C10H8BrNO2 |
| Molecular Weight | 254.08 g/mol |
| Appearance | Off-white to pale 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
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Recommended Standards
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- 4-(2-Bromoacetyl)-3-methoxybenzonitrile (CAS 102361-96-6)
- Benzoic acid, 4-(1-methylethenyl)-, methyl ester (CAS 26581-23-7)
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- Methyl (2S,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate hydrochloride (CAS 2306254-03-3)
- N1-cyclobutyl-N3,N3,2,2-tetramethylpropane-1,3-diamine (CAS 1249891-07-3)
- N-Acetyl Sulfamethoxazole-d5 (CAS 1020718-89-1)
- Nortilidine HCl (CAS 34596-11-7)
- (2,6-Difluoropyridin-4-yl)methanol (CAS 1006299-98-4)
- 4-(P-tolyl)tetrahydro-2H-pyran-4-ol (CAS 853886-97-2)
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- Semaglutide impurity 22(OtBu-Ste-γGlu(OtBu)-AEEA-AEEA-OH) (CAS 1118767-16-0)
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