乙碘苯酸
3-acetamido-2,4,6-triiodobenzoic acid
CAS: 85-36-9
Molecular Formula: C9H6I3NO3
乙碘苯酸 - Names and Identifiers
| Name | 3-acetamido-2,4,6-triiodobenzoic acid |
| Synonyms | urokon opacaron Acetrizoicacid Acetrizoic acid 3-acetamido-2,4,6-triiodobenzoic acid 2,4,6-Triiodo-3-acetylaminobenzoic acid acido3-acetilamino-2,4,6-triiodobenzoico Benzoic acid, 3-acetamido-2,4,6-triiodo- Acido 3-acetilamino-2,4,6-triiodobenzoico Benzoicacid,3-(acetylamino)-2,4,6-triiodo- Benzoic acid, 3-(acetylamino)-2,4,6-triiodo- |
| CAS | 85-36-9 |
| EINECS | 201-600-7 |
| InChI | InChI=1/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16) |
乙碘苯酸 - Physico-chemical Properties
| Molecular Formula | C9H6I3NO3 |
| Molar Mass | 556.86 |
| Density | 2.5688 (estimate) |
| Melting Point | 280-280.5 °C (decomp) |
| Boling Point | 547.1±50.0 °C(Predicted) |
| Water Solubility | 1.28g/L(25 ºC) |
| Solubility | It is soluble in alcohol, slightly soluble in ether and water, very slightly soluble in chloroform and practically insoluble in benzene. |
| Appearance | powder to crystal |
| Color | White power |
| pKa | 1.13±0.10(Predicted) |
| Storage Condition | 2-8°C(protect from light) |
| MDL | MFCD00016495 |
| Physical and Chemical Properties | White crystalline powder, soluble in water. Melting point 278-283 ℃ |
乙碘苯酸 - Risk and Safety
| 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| RTECS | DG0887000 |
| Toxicity | LD50 orl-mus: 20 g/kg FRPSAX 18,33,63 |
乙碘苯酸 - Preparation solution concentration reference
| 1mg | 5mg | 10mg | |
|---|---|---|---|
| 1 mM | 1.796 ml | 8.979 ml | 17.958 ml |
| 5 mM | 0.359 ml | 1.796 ml | 3.592 ml |
| 10 mM | 0.18 ml | 0.898 ml | 1.796 ml |
| 5 mM | 0.036 ml | 0.18 ml | 0.359 ml |
Last Update：2024-01-02 23:10:35
乙碘苯酸 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| biological activity | Acetrizoic acid is a small molecule compound that is used as a developer. |
| Use | contrast agent, suitable for renal pelvis, urethra, bladder, and Cardiovascular angiography. |
| production method | sodium 3-amino -2,4, 6-triiodobenzoate (see section 02780): acetic anhydride and sulfuric acid were added to the reaction tank successively, and after cooling to 40 ° C., sodium 3-amino -2,4, 6-triiodoformate was added. The temperature was raised and the reaction was carried out at 80 ° C. For 3 hours. Cool to room temperature, spin filter, wash with distilled water, get vinegar iodine acid crude product. The crude product was stirred with water and EDTA for 1 hour, filtered and washed four times with water. Acetoiodic acid was then added to the tank and the pH was adjusted to 8.5 with aqueous ammonia. Filtering, washing repeatedly with 95% ethanol, filtering off ethanol to obtain ammonium acetoiodobenzoate. It was dissolved in distilled water, and activated carbon was added to decolorize and filter. The filtrate was adjusted to pH 1 with 3N hydrochloric acid, and then filtered. |
| category | toxic substances |
| toxicity grade | low toxicity |
| Acute toxicity | oral-mouse LD50:20000 mg/kg; Intravenous-mouse LD50: 8000 mg/kg |
| flammability hazard characteristics | flammability; Heat decomposition releases toxic nitrogen oxides, iodide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| extinguishing agent | dry powder, foam, sand and water |
Last Update：2024-04-10 22:29:15
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