Methyl 5-nitroisophthalate
monomethyl 5-nitroisophthalate
CAS: 1955-46-0
Molecular Formula: C9H7NO6
Methyl 5-nitroisophthalate - Names and Identifiers
Methyl 5-nitroisophthalate - Physico-chemical Properties
| Molecular Formula | C9H7NO6 |
| Molar Mass | 225.15 |
| Density | 1.5322 (rough estimate) |
| Melting Point | 180-182 °C (lit.) |
| Boling Point | 366.65°C (rough estimate) |
| Flash Point | 207.6°C |
| Water Solubility | insoluble |
| Solubility | 9g/L in organic solvents at 20 ℃ |
| Vapor Presure | 0-0Pa at 25℃ |
| Appearance | Fine Crystalline Powder |
| Color | Slightly yellow |
| BRN | 1469253 |
| pKa | 3.11±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5200 (estimate) |
| Physical and Chemical Properties | The melting point was 180-182 °c. |
| Use | Used as an intermediate in organic synthesis |
Methyl 5-nitroisophthalate - Risk and Safety
| Hazard Symbols | T+ - Very toxic |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 2811 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29173980 |
Methyl 5-nitroisophthalate - Reference Information
| LogP | 1.65 at 25℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 5-nitroisophthalic acid monomethyl Ester is used for the preparation of hetero-functional crosslinkers for multiple bioconjugation of polypeptides, it is also used to synthesize histone demethylase LSD1 inhibitors that target cancer cells. This product is an intermediate in organic synthesis. 5-nitro-n-methylisophthalamide is obtained by amination with methylamine. 5-amino-N-methyl isophthalamic acid is obtained by reduction. Further, the iodination reaction is continued to produce 5-amino-N-methyl -2,4, 6-triiodoisophthalamic acid. These intermediates are intermediate products of the new diatrizoate (iodophthalamide) of the drug. used as intermediate in organic synthesis |
| production method | is obtained by hydrolysis of dimethyl 5-nitroisophthalate. 5-nitroisophthalic acid dimethyl ester and methanol were mixed, stirred and heated to dissolve. Sodium hydroxide solution was added dropwise and heated under reflux for 2H. The excess methanol was then distilled off and the residue was dissolved in warm water and filtered. The filtrate was acidified to pH 1, and crystals were precipitated, filtered, and the filter cake was dried to obtain monomethyl 5-nitroisophthalate. The yield was about 70%. |
Last Update：2024-04-10 22:29:15
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CAS: 1955-46-0
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Product Name: Mono-Methyl 5-nitroisophthalate Request for quotation
CAS: 1955-46-0
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CAS: 1955-46-0
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