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| CAS No.: | 85-36-9 |
|---|---|
| Name: | Acetrizoic acid |
| Molecular Structure: | |
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|
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| Formula: | C9H6 I3 N O3 |
| Molecular Weight: | 556.865 |
| Synonyms: | Benzoicacid, 3-acetamido-2,4,6-triiodo- (6CI,7CI,8CI);2,4,6-Triiodo-3-acetamidobenzoic acid; 3-Acetamido-2,4,6-triiodobenzoic acid;3-Acetylamino-2,4,6-triiodobenzoic acid; Acetrizoic acid; Opacaron; Urokon;Urokonic acid |
| EINECS: | 201-600-7 |
| Density: | 2.766 g/cm3 |
| Melting Point: | 280-280.5 °C (decomp) |
| Boiling Point: | 547.1 ºC |
| Flash Point: | 284.7 ºC |
| Solubility: | 1.28g/L(25 oC) |
| Risk Codes: | 36/37/38 |
| Safety: | Mildly toxic by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of I− and NOx. |
| PSA: | 66.40000 |
| LogP: | 3.23000 |
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Chemistry
Molecular Formula: C9H6I3NO3
Molecular Weight: 556.86
EINECS: 201-600-7
Density: 2.766 g/cm3
Flash Point: 284.7 °C
Index of Refraction: 1.801
CAS Registry Number: 85-36-9
Refractive index: 1.4364-1.4384
Enthalpy of Vaporization: 86.96 kJ/mol
Boiling Point: 547.1 °C at 760 mmHg
Vapour Pressure: 8.39E-13 mmHg at 25°C
Appearence : White crystalline powder
IUPAC Name: 3-Acetamido-2,4,6-triiodobenzoic acid
Synonyms: Acetriazoic acid ; 3-Acetylamino-2,4,6-triiodobenzoic acid ; 2,4,6-Triiodo-3-acetamidobenzoic acid ; 3-(Acetylamino)-2,4,6-triiodo-benzoicaci
Following is the molecular structure of 3-Acetylamino-2,4,6-triiodobenzoic acid (CAS NO.85-36-9):
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Uses
3-Acetylamino-2,4,6-triiodobenzoic acid (CAS NO.85-36-9) is used as Contrast agent, suitable for the renal pelvis, urethra, bladder, and cardiovascular imaging.
Production
3-Acetylamino-2,4,6-triiodobenzoic acid (CAS NO.85-36-9) is derived by 3 - amino-2,4,6 - triiodo-sodium benzoate (see 02780) acetyl : successively acetic anhydride, sulfuric acid reaction tank, cooling to 40 ℃ after adding 3 - amino-2,4,6 - 3 Sodium iodine stupid. Temperature, at 80 ℃ for 3 hours. Cooled to room temperature, Lut filtering, washing with distilled water, vinegar and iodine was stupid sour crude. The crude product with water and EDTA stirring 1 hour, filtration, water washed 4 times. Vinegar and then adding iodine benzoic acid tank, pH adjusted to 8.5 with ammonia. Filtration, with 95% ethanol repeated bubble washing, filtered ethanol, benzene, ammonium iodine was vinegar. Be dissolved in distilled water, add decolorizing activated carbon filtration, the filtrate pH adjusted with 3N hydrochloric acid to 1, then filtration, washed with 50 ℃ hot distilled water until no chloride ions, dried, vinegar, iodine was benzoic acid.
Toxicity Data With Reference
| 1. | unr-rat LD50:9650 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 42 (1953),721. | ||
| 2. | orl-mus LD50:20 g/kg | FRPSAX Farmaco, Edizione Scientifica. 18 (1963),33. | ||
| 3. | ivn-mus LD50:8000 mg/kg | FRPSAX Farmaco, Edizione Scientifica. 18 (1963),33. |
Safety Profile
Mildly toxic by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of I− and NOx.
Safety Information of 3-Acetylamino-2,4,6-triiodobenzoic acid (CAS NO.85-36-9):
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.
Safety Statements: 24/25
RTECS: DG0887000