Methyl 3-cyano-5-nitrobenzoate CAS 99066-80-5
| CAS No. | 99066-80-5 |
| Molecular Formula | C9H6N2O4 |
| Molecular Weight | 206.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 206.15 g/mol gives Methyl 3-cyano-5-nitrobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 3-cyano-5-nitrobenzoate (CAS 99066-80-5) is a high-purity analytical reference standard with the molecular formula C9H6N2O4 and a molecular weight of 206.15 g/mol.
The molecular framework of Methyl 3-cyano-5-nitrobenzoate (C9H6N2O4) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Methyl 3-cyano-5-nitrobenzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H6N2O4 |
| Molecular Weight | 206.15 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- Methyl 4-cyano-3-nitrobenzoate (CAS 1033997-01-1)
- Methyl 2-cyano-5-nitrobenzoate (CAS 1260777-93-2)
- 4-Cyano-6-(methoxycarbonyl)picolinic acid (CAS 1393531-78-6)
- Methyl 2-cyano-4-nitrobenzoate (CAS 1628431-64-0)
- 2-Cyano-5-methyl-4-nitrobenzoic acid (CAS 1803775-17-8)
- Methyl 2-cyano-4-nitrobenzoate (CAS 1804177-30-7)
- 2-(4-Cyano-2-nitrophenyl)acetic acid (CAS 90178-58-8)
- Methyl 2-cyano-3-nitrobenzoate (CAS 77326-46-6)
Recommended Standards
- methyl 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propanoate (CAS 2059942-03-7)
- Methyl 4-cyano-2-nitrobenzoate (CAS 52449-76-0)
- Methyl 2-cyano-6-nitrobenzoate (CAS 847173-99-3)
- N-Methyl-4-nitrophthalimide (CAS 41663-84-7)
- 5-Bromo-6-methylpyrazolo[1,5-a]pyridine (CAS 1345121-35-8)
- Foscarnet Sodium (CAS 63585-09-1)
- 14298-38-5 phosphoric acid,erbium(3+) salt (1:1) (8ci,9ci) (CAS 14298-38-5)
- (1-((4,4-Difluoropiperidin-1-yl)methyl)cyclopropyl)methanol (CAS 1890277-32-3)
- Levocarnitine EP Impurity D (CAS CATO-C4X-129222)
- 3-Chloro-1,1,2,2-tetrafluorocyclobutane (CAS 558-61-2)
- Mirogabalin Impurity 177 (CAS CATO-C4X-2924177)
- 2H-Pyran-3(4H)-imine (CAS 143754-73-8)
- (4-Propylphenyl)methanol (CAS 82657-70-3)
- Semaglutide Impurity 157 (x TFA Salt) (CAS CATO-C4X-2226157)
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