3-Iodo-4-Nitrobenzoic acid
3-Iodo-4-methylbenzoic acid
CAS: 82998-57-0
Molecular Formula: C8H7IO2
3-Iodo-4-Nitrobenzoic acid - Names and Identifiers
| Name | 3-Iodo-4-methylbenzoic acid |
| Synonyms | TIMTEC-BB SBB003083 3-Iodo-p-toluicacid 3-Iodo-p-anisic acid 3-iodo-4-methylbenzoate 3-iodo-4-methoxybenzoate 3-Iodo-4-Nitrobenzoic acid 3-Iodo-4-methylbenzoic acid 3-IODO-4-METHYLBENZOIC ACID BENZOIC ACID, 3-IODO-4-METHYL |
| CAS | 82998-57-0 |
| InChI | InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)/p-1 |
3-Iodo-4-Nitrobenzoic acid - Physico-chemical Properties
| Molecular Formula | C8H7IO2 |
| Molar Mass | 262.04 |
| Density | 1.7835 (estimate) |
| Melting Point | 210-212 °C (lit.) |
| Boling Point | 278.5°C (rough estimate) |
| Flash Point | 168.6°C |
| Solubility | Soluble in methanol. |
| Vapor Presure | 1.16E-05mmHg at 25°C |
| Appearance | Solid |
| Color | Off-White |
| BRN | 2436216 |
| pKa | 4.02±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Light Sensitive |
| MDL | MFCD00010392 |
| Physical and Chemical Properties | Melting Point: 207 - 212 |
3-Iodo-4-Nitrobenzoic acid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
3-Iodo-4-Nitrobenzoic acid - Reference Information
| Use | 3-iodo-4-methylbenzoic acid can be used in the preparation of pesticides, fungicides and key pharmaceutical intermediates, in the organic synthesis conversion, the carboxyl group in the structure can be reduced to a hydroxyl group by a tetrahydroaluminum lithium or borane tetrahydrofuran solution, and in addition, the carboxyl group can also be converted to an ester group and an amide group by reacting with an alcohol or an amine compound. The iodine atom in the structure may be subjected to an arylation reaction or an alkylation reaction by coupling. |
| synthetic method | methyl 3-iodo-4-methylbenzoate (3G, 109 mmol, 1 equiv.) was dissolved in methanol (30 ml) and sodium hydroxide (1.3G, 327 mmol, 3 equiv.) was carefully added followed by water (15 ml), noting a marked exotherm. The above reaction solution was stirred at room temperature for 14 hours, concentrated in vacuo, then water was added, and the pH of the reaction was adjusted to 3 with concentrated hydrochloric acid, the resulting solid is filtered and dried under vacuum to obtain the target product molecule. Figure 3-synthesis of iodo-4-methylbenzoic acid |
Last Update：2024-04-09 21:21:28
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