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Home > Encyclopedia > 3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid

3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid

3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid structure

3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid 

structure
  • CAS No:

    2280-89-9

  • Formula:

    C9H7I3N2O3

  • Chemical Name:

    3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid

  • 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

  • Categories:

    Analytical Chemistry  >  Standard

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

Safety Information

NONH for all modes of transport

3-Amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid Use and Manufacturing

Methods of 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.

Uses

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

Material

Nitric acid

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