3-AMINO-2,4,6-TRIIODOBENZOIC ACID
3-Amino-2,4,6-triiodobenzoic acid
CAS: 3119-15-1
Molecular Formula: C7H4I3NO2
3-AMINO-2,4,6-TRIIODOBENZOIC ACID - Names and Identifiers
| Name | 3-Amino-2,4,6-triiodobenzoic acid |
| Synonyms | 3-amino-2,4,6-triiodobenzoate 3-amino-2,4,6-triiodo-benzoicaci 3-Amino-2,4,6-triiodobenzoic acid 3-AMINO-2,4,6-TRIIODOBENZOIC ACID 2,4,6-TRIIODO-3-AMINOBENZOIC ACID acido3-amino-2,4,6-triiodobenzoico Benzoic acid, 3-amino-2,4,6-triiodo- benzoic acid, 3-amino-2,4,6-triiodo- sodium 3-amino-2,4,6-triiodobenzoate 3-Amino-2,4,6-triiodobenzoic Acid (50 mg) |
| CAS | 3119-15-1 |
| EINECS | 221-493-0 |
| InChI | InChI=1/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)/p-1 |
3-AMINO-2,4,6-TRIIODOBENZOIC ACID - Physico-chemical Properties
| Molecular Formula | C7H4I3NO2 |
| Molar Mass | 514.83 |
| Density | 2.7479 (estimate) |
| Melting Point | 196-199 °C |
| Boling Point | 478.9±45.0 °C(Predicted) |
| Flash Point | 243.4°C |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 0.001Pa at 25℃ |
| Color | Crystals |
| pKa | 1.50±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
| MDL | MFCD00007681 |
| Physical and Chemical Properties | Crystal. The melting point is 196.5-197.5 °c (197-199 °c). |
3-AMINO-2,4,6-TRIIODOBENZOIC ACID - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. 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 |
| RTECS | DG3349000 |
| HS Code | 2922493800 |
| Hazard Class | IRRITANT |
| Toxicity | LD50 unr-rat: 1450 mg/kg JAPMA8 42,721,53 |
3-AMINO-2,4,6-TRIIODOBENZOIC ACID - Reference Information
| LogP | -1.43-3.31 at 25℃ and pH1-9 |
| dissociation constant | 2.7-2.9 |
| use | as a pharmaceutical intermediate. |
| production method | is obtained by iodination of m-aminobenzoic acid. Add m-aminobenzoic acid into the reaction tank, adjust the pH to 2-3 with 30% hydrochloric acid, and add iodine monochloride solution into the reaction tank with 20% sodium chloride solution. Stir for 3h at room temperature, slowly raise the temperature to 85-90 ℃, keep the temperature for 5-6h, and the measured melting point of solid above 180 ℃ is the end point of the reaction. After the reaction is completed, an appropriate amount of sodium metabisulfite is added to remove free iodine. Filter and wash the filter cake with water to obtain crude m-amino triiodobenzoic acid. Add 40% liquid alkali and water to the crude product to form sodium salt, and heat to 60 ℃ to dissolve. Place it to cool and filter below 25°C to obtain lavender scaly m-aminotriiodobenzoic acid crystals. The crystallization was added to 5-6 times water, heated to 60-70 ℃, and 2% activated carbon was added to decolorize and filter. The filtrate is adjusted pH2-3 with hydrochloric acid, filtered, the filter cake is washed with water, and dried to obtain m-aminotriiodobenzoic acid. The melting point is above 198 ℃, and the yield is 72.4%. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | unnamed-rat LD50: 1450 mg/kg; Oral administration-mouse LD50: 600 mg/kg |
| flammability hazard characteristics | flammability; high temperature produces toxic nitrogen oxides and sulfur oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-09 20:49:11
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3-AMINO-2,4,6-TRIIODOBENZOIC ACID
2-(3,5二叔丁基-2-羟基苯基)邻苯甲酸
(2-azanidylcyclopentyl)azanide; oxalic acid; platinum(+2) cation
2-(3,5二叔丁基-2-羟基苯基)邻苯甲酸
(2-azanidylcyclopentyl)azanide; oxalic acid; platinum(+2) cation