Methyl 2-(3-bromophenyl)-2-cyanoacetate CAS 895579-16-5
| CAS No. | 895579-16-5 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl 2-(3-bromophenyl)-2-cyanoacetate.
Methyl 2-(3-bromophenyl)-2-cyanoacetate (CAS 895579-16-5), molecular formula C10H8BrNO2 and molecular weight 254.08 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 2-(3-bromophenyl)-2-cyanoacetate (C10H8BrNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
CATO manufactures Methyl 2-(3-bromophenyl)-2-cyanoacetate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
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.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 3-(4-Bromophenyl)-3-cyanopropanoic acid (CAS 1003707-16-1)
- Methyl 2-(4-bromophenyl)-2-cyanoacetate (CAS 1218950-96-9)
- Methyl 2-(2-bromophenyl)-2-cyanoacetate (CAS 1218951-02-0)
- [1-(2-bromophenyl)-1h-1,2,3-triazol-4-yl]methanol (CAS 1248105-65-8)
- (1-(3-Bromophenyl)-1H-1,2,3-triazol-4-yl)methanol (CAS 1249354-75-3)
- [1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl]methanol (CAS 1249756-52-2)
- (5-(3-Bromophenyl)-1,2,4-oxadiazol-3-yl)methanamine (CAS 1250985-54-6)
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Recommended Standards
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Why CATO?
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