Methyl 2-(cyanomethyl)-3-nitrobenzoate CAS 90771-65-6
| CAS No. | 90771-65-6 |
| Molecular Formula | C10H8N2O4 |
| Molecular Weight | 220.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 2-(cyanomethyl)-3-nitrobenzoate (CAS 90771-65-6), molecular formula C10H8N2O4 and molecular weight 220.18 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, Methyl 2-(cyanomethyl)-3-nitrobenzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 220.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 2-(cyanomethyl)-3-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 | C10H8N2O4 |
| Molecular Weight | 220.18 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.) | 1982 |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- methyl 3-(cyanomethyl)-4-nitrobenzoate (CAS 1260763-08-3)
- 3-(CYANOMETHYL)-4-NITROPHENYL ACETATE (CAS 2089650-01-9)
- 2-((Cyanomethyl)thio)-N-(p-tolyl)acetamide (CAS 669755-54-8)
- N-(4-(cyanomethyl)-2-nitrophenyl)acetamide (CAS 123270-23-5)
- 2-(Cyanomethyl)-4,5-dimethoxybenzoic acid (CAS 76254-26-7)
- Ethyl (cyanomethyl)(p-tolyl)carbamate (CAS 750614-80-3)
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Recommended Standards
- Methyl 2-(4-cyano-2-nitrophenyl)acetate (CAS 651747-70-5)
- Methyl 2,2-bis((methoxycarbonyl)amino)acetate (CAS 60794-51-6)
- ethyl 7-hydroxypteridine-6-carboxylate (CAS 90323-87-8)
- Methyl 2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylate (CAS 354793-04-7)
- 1207326-92-8 4-Amino-5-{[benzyl(methyl)amino]methyl}-4H-1,2,4-triazole-3-thiol MFCD18169600 (CAS 1207326-92-8)
- 2-(3-(tert-Butyl)ureido)-N-(2-chloro-6-methylphenyl)benzo[d]thiazole-6-carboxamide (CAS 225521-80-2)
- tert-Butyl (6S)-6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate (CAS 1262397-26-1)
- 4',4''',4''''',4'''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl]-4-carbaldehyde)) (CAS 1624970-54-2)
- 4-Amino-6-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride (CAS 1806834-51-4)
- 5-chloro-4-formylfuran-2-carboxylic acid (CAS 31491-44-8)
- 2-(Bromodifluoromethyl)quinolin-8-ol (CAS 264920-46-9)
- 8C0WTU2O92 70155-58-7 Pyruvic acid 2-C-13 Propanoic-2-13C acid, 2-oxo- Pyruvic-2-13C acid 13C-Pyruvate UNII-8C0WTU2O92 (CAS 70155-58-7)
- 5-(4-Methylpyridin-3-yl)isophthalic acid (CAS 2590617-10-8)
- Acetyl Tetrapeptide-5 (CAS 820959-17-9)
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