3-Amino-2,4,6-triiodobenzoic acid
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3-Amino-2,4,6-triiodobenzoic acid
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CAS No:
3119-15-1
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Formula:
C7H4I3NO2
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Chemical Name:
3-Amino-2,4,6-triiodobenzoic acid
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Synonyms:
Benzoic acid,3-amino-2,4,6-triiodo-;3-Amino-2,4,6-triiodobenzoic acid;2,4,6-Triiodo-3-aminobenzoic acid;NSC 60105
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CAS No:
3-Amino-2,4,6-triiodobenzoic acid Basic Attributes
514.83
514.83
221-493-0
99H77D8MTD
60105
DTXSID60185120
2922499990
Characteristics
63.32000
3.36200
Slightly yellow powder.
3.02g/cm3
190-192 °C (decomp)
478.9ºC at 760mmHg
243.4ºC
Insoluble in water.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Unnamed-rat LD50: 1450 mg/kg; Oral-mouse LD50: 600 mg/kg
Flammable; high temperature produces toxic nitrogen oxide and sulfur oxide fumes
Safety Information
IRRITANT
NONH for all modes of transport
36/37/38-22-20/21/22
36/37/39-26-37/39
DG3349000
Xn
Warehouse ventilated, low temperature and dry
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P280-P301 + P312 + P330-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302 (61.76%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 68 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Amino-2,4,6-triiodobenzoic acid Use and Manufacturing
It is derived from iodination of m-aminobenzoic acid. Add m-aminobenzoic acid to the reaction tank, adjust the pH to 2-3 with 30% hydrochloric acid, and add iodine monochloride solution to the reaction tank with 20% sodium chloride solution. Stir at room temperature for 3h, slowly raise the temperature to 85-90°C, and keep the temperature for 5-6h. The melting point of the solid measured above 180°C is the end 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 the crude product of m-aminotriiodobenzoic acid. The crude product is added with 40% liquid alkali and water to make a sodium salt, which is heated to 60°C and dissolved. Leave to cool, filter below 25°C to obtain lavender scale-like crystals of aminotriiodobenzoic acid. Add crystals to 5-6 times water, heat to 60-70℃, add 2% activated carbon to decolorize and filter. The filtrate was adjusted to pH 2-3 with hydrochloric acid, spin-filtered, and the filter cake was washed with water and dried to obtain m-aminotriiodobenzoic acid. Melting point is above 198 ℃, the yield is 72.4%.
3-Amino-2,4,6-triiodobenzoic Acid is used to prepare polymeric hydrogel based particles used in vascular embolization.
Computed Properties
Molecular Weight:514.83
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:514.7376
Monoisotopic Mass:514.7376
Topological Polar Surface Area:63.3
Heavy Atom Count:13
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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InquiryCAS No.: 3119-15-1Grade: Pharmaceutical GradeContent: 99%
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3-Amino-2,4,6-triiodobenzoic acid
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