3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
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3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
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CAS No:
2280-89-9
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Formula:
C9H7I3N2O3
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Chemical Name:
3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
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Synonyms:
Benzoic acid,3-amino-2,4,6-triiodo-5-[(methylamino)carbonyl]-;Isophthalamic acid,5-amino-2,4,6-triiodo-N-methyl-;3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid;5-Amino-2,4,6-triiodo-N-methylisophthalamic acid;3-Amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
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CAS No:
3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid Basic Attributes
571.87689
571.88
218-917-1
A3PN1N22K1
DTXSID10177353
2924299090
Characteristics
95.91000
3.29640
2.712g/cm3
266-268 °C
454ºC at 760mmHg
228.4ºC
1.795
4.92E-09mmHg at 25°C
3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid Use and Manufacturing
Isophthalic acid is nitrified with fuming nitric acid to form 5-nitroisophthalic acid, then esterified with methanol under sulfuric acid catalysis and partially hydrolyzed to obtain 5-nitroisophthalic acid monomethyl ester, the latter with methylamine The nitro group was reduced with sodium sulfide, and finally the product was obtained by iodination with iodine chloride.
5-Amino-2,4,6-triiodo-N-methylisophthalamic Acid is used in x-ray diagnosis. Used in the preparation of Iothalamic acid (I736200).
Computed Properties
Molecular Weight:571.88
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:571.7591
Monoisotopic Mass:571.7591
Topological Polar Surface Area:92.4
Heavy Atom Count:17
Complexity:329
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
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