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| CAS No.: | 2276-90-6 |
|---|---|
| Name: | Iotalamic acid |
| Molecular Structure: | |
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| Formula: | C11H9 I3 N2 O4 |
| Molecular Weight: | 613.917 |
| Synonyms: | Isophthalamicacid, 5-acetamido-2,4,6-triiodo-N-methyl- (7CI,8CI); 5-Acetamido-2,4,6-triiodo-N-methylisophthalamicacid; 5-Acetylamino-2,4,6-triiodo-N-methyl-3-isophthalamic acid; Cysto ConrayII; Iotalamic acid; Iothalamic acid; MI 216; Methalamic acid |
| EINECS: | 218-897-4 |
| Density: | 2.54 g/cm3 |
| Melting Point: | 285 C |
| Boiling Point: | 520.2 °C at 760 mmHg |
| Flash Point: | 268.4 °C |
| Solubility: | Insoluble off-white to white powder |
| Hazard Symbols: | UN NO. |
| Transport Information: | OTH |
| PSA: | 95.50000 |
| LogP: | 2.98050 |
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Chemistry
IUPAC Name: 3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
CAS: 2276-90-6
EINECS: 218-897-4
Product Categories: Organics
Following is the Molecular Structure of Iothalamic acid (2276-90-6):
SMILES: Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)C(=O)NC
InChI: InChI=1/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKey: UXIGWFXRQKWHHA-UHFFFAOYAN
Std.InChI: InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)
Std.InChIKey: UXIGWFXRQKWHHA-UHFFFAOYSA-N
Molecular Formula: C11H9I3N2O4
Molecular Weight: 613.91357
Melting Point:
Boiling Point: 520.2℃ at 760mmHg
Flash Point: 268.4℃
Molar Volume: 241.6cm3
Density: 2.54g/cm3
Index of Refraction: 1.763
Molar Refractivity: 99.79cm3
Surface Tension: 75.8dyne/cm
Polarizability: 39.56 10-24cm3
Enthalpy of Vaporization: 83.5kJ/mol
Vapour Pressure: 1.2E-11mmHg at 25℃
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| man | TDLo | unreported | 2143uL/kg (2.143mL/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | AJR, American Journal of Roentgenology. Vol. 162, Pg. 997, 1994. |
| women | TDLo | unreported | 2mL/kg (2mL/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | AJR, American Journal of Roentgenology. Vol. 162, Pg. 997, 1994. |
Safety Profile
Poison by intravenous route.
Specification
Iothalamic acid (2276-90-6),which also can be called for 3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-benzoicaci ; Iothalamicacid ; Iothalamic acid (200 mg) ; 5-Acetamido-2,4,6-triiodo-n-methylisophthalamic acid ; Iotalamic acid ; Iothalamic ; Benzoic acid,3-(acetylamino)-2,4,6-triiodo- 5-[(methylamino)carbonyl]- ; 3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid .When Iothalamic acid (2276-90-6) was heated,it emits very toxic fumes of NOx and I− .