3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid | CAS No. 22871-58-5

3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid

Basic Information

CAS Number

22871-58-5

Molecular Formula

C10H9I3N2O4

Molecular Weight

601.9 g/mol

AD

Basic Physical Properties

C(CO)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I

InChI

InChI=1S/C10H9I3N2O4/c11-5-3(9(17)15-1-2-16)6(12)8(14)7(13)4(5)10(18)19/h16H,1-2,14H2,(H,15,17)(H,18,19)

InChIKey

WGLWRCXOMJLZME-UHFFFAOYSA-N

LogP

1.5029

Topological Polar Surface Area

112.64999999999999 Ų

Hydrogen Bond Donor/Acceptor

5 / 6

Complexity

358

Synonyms & References

English

  • C10H9I3N2O4
  • 5-AMINO-2,4,6-TRIIODO-(N-.BETA.-HYDROXYETHYL)ISOPHTHALIC ACID MONOAMIDE
  • BENZOIC ACID, 3-AMINO-5-(((2-HYDROXYETHYL)AMINO)CARBONYL)-2,4,6-TRIIODO-
  • P2DB4YR43F
  • 2,4,6-Triiodo-3-(N-hydroxyethylcarbamoyl)-5-aminobenzoic Acid
  • WGLWRCXOMJLZME-UHFFFAOYSA-N
  • EC 607-173-7
  • IOXILAN RELATED COMPOUND A (100 MG) (5-AMINO-2,4,6-TRIIODO-3 N-(2-HYDROXYETHYL)CARBA-MOYL BENZOIC ACID)
  • NS00003775
  • FT-0733297
  • UNII-P2DB4YR43F
  • AKOS015964911
  • 3-amino-5-(2-hydroxyethylamino)carbonyl-2,4,6-triiodobenzoic acid
  • 3-amino-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
  • Ioxaglic acid impurity A
  • IOXAGLIC ACID IMPURITY A [EP IMPURITY]
  • 3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
  • 5-amino-N-(2-hydroxyethyl)-2,4,6-triiodoisophthalamic acid
  • 22871-58-5
  • 3-Amino-5-((2-hydroxyethyl)carbamoyl)-2,4,6-triiodobenzoic acid
  • DTXSID50599818
  • 3-Amino-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid
  • SCHEMBL8911310
  • ISOPHTHALAMIC ACID, 5-AMINO-N-(2-HYDROXYETHYL)-2,4,6-TRIIODO-
  • 3-Amino-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-benzoic acid
  • 3-amino-5-(2-hydroxyethylcarbamoyl)-2, 4, 6-triiodobenzoic acid
  • Ioxilan Related Compound A
  • 5-AMINO-N-(2-HYDROXYETHYL)-2,4,6-TRIIODOISOPHTHALAMIC ACID
  • 5-Amino-2,4,6-triiodo-3-[N-(2-hydroxyethyl)aminocarbonyl]benzoic acid
  • 5-amino-2,4,6-triiodoisophthalic acid (2-hydroxy-ethyl) monoamide
  • AG-E-65949

MDL Number

MFCD09032980

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid (CAS: 22871-58-5)?

3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid has a crystalline form with a molecular weight of approximately 625.09 g/mol. It is poorly soluble in water but has good solubility in organic solvents. The compound is highly reactive due to its iodine content and amine functionalities. It is stable under normal conditions but should be handled with care to avoid decomposition under extreme pH or temperature conditions.

How is 3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid (CAS: 22871-58-5) typically synthesized?

3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid is typically synthesized by reacting 2-hydroxyethyl isocyanate with 2,4,6-triiodobenzoic acid in the presence of a base like sodium hydroxide. The reaction is conducted under careful temperature control to ensure high selectivity and yield. The product is then purified by recrystallization or column chromatography.

What industries use 3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid (CAS: 22871-58-5)?

3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid finds applications in the pharmaceutical industry for the development of certain drug candidates. It may also be used in the synthesis of polymeric materials and as a component in certain sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid (CAS: 22871-58-5)?

When handling 3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with caution, and the Material Safety Data Sheet (MSDS) should be consulted for specific spill cleanup procedures. Ensure proper disposal and storage in accordance with local regulations to avoid environmental contamination.

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