4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzoic acid - ≥98% , CAS No.2055-97-2

CAS: 2055-97-2 Cat. No.: T343438 Peso molecular: 733.8 PubChem CID: 6451352

GRADE & PURITY ≥98%

Synonyms

3,3',5,5'-Tetraiodo Thyroformic Acid, >90per cent | 3,3',5,5'-Tetraiodothyroformic acid | LEVOTHYROXINE SODIUM IMPURITY H [EP IMPURITY] | UNII-069P3V0KG2 | HKJUOMPYMPXLFS-UHFFFAOYSA-N | Levothyroxine T4 benzoic acid;3,3',5,5'-Tetraiodothyroformic acid | A

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Tetraiodothyroformic Acid is a Thyroxine impurity and a potent thyroid hormone analog.

Specifications

Sinónimos

3, 3', 5, 5'-Tetraiodo Thyroformic Acid, >90per cent | 3, 3', 5, 5'-Tetraiodothyroformic acid | LEVOTHYROXINE SODIUM IMPURITY H [EP IMPURITY] | UNII-069P3V0KG2 | HKJUOMPYMPXLFS-UHFFFAOYSA-N | Levothyroxine T4 benzoic acid;3, 3', 5, 5'-Tetraiodothyroformic acid | A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764217
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764217
• Sonrisas canónicas: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O
• IUPAC Name: 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzoic acid
• InChIKey: HKJUOMPYMPXLFS-UHFFFAOYSA-N
• INCHI: 1S/C13H6I4O4/c14-7-3-6(4-8(15)11(7)18)21-12-9(16)1-5(13(19)20)2-10(12)17/h1-4,18H,(H,19,20)
• Isómeros SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O
• PubChem CID: 6451352
• Peso molecular: 733.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Halobenzoic acids 3-halobenzoic acids Benzoic acids Phenoxy compounds Phenol ethers O-iodophenols Benzoyl derivatives Iodobenzenes Aryl iodides Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - 3-halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - 2-halophenol - 2-iodophenol - Phenol ether - Iodobenzene - Halobenzene - Phenol - Aryl iodide - Aryl halide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organoiodide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly),
• Sensibilidad: Sensitive to light
• Punto de fusión (°C): >230°C (dec.)
• Peso molecular: 733.800 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 733.644 Da
• Monoisotopic Mass: 733.644 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 359.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1