2,3,5-Triiodobenzoic acid - ≥98% , CAS No.88-82-4

CAS: 88-82-4 Cat. No.: T106690 Peso molecular: 499.81 Beilstein Registry Number: 1955088 Número EC: 201-859-6 PubChem CID: 6948

GRADE & PURITY ≥98%

Synonyms

TIBA | HSDB 7575 | MFCD00002420 | 2,3,5-TRIIODOBENZOIC ACID [HSDB] | 2,3,5-Triiodobenzoic acid, 98% | UNII-H575A4059Q | WLN: QVR BI CI EI | CHEBI:73175 | DTXCID2021317 | Triiodobenzoic acid | BRN 1955088 | Regim 8 (Salt/Mix) | AI3-27442 | AKOS000109232 |

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

It has been used in the synthesis of aromatic iodine containing vinylic monomer, 2-methacryloyloxyethyl(2,3,5-triiodobenzoate) used in preparing radiopaque polymers.

Specifications

Sinónimos

TIBA | HSDB 7575 | MFCD00002420 | 2, 3, 5-TRIIODOBENZOIC ACID [HSDB] | 2, 3, 5-Triiodobenzoic acid, 98% | UNII-H575A4059Q | WLN: QVR BI CI EI | CHEBI:73175 | DTXCID2021317 | Triiodobenzoic acid | BRN 1955088 | Regim 8 (Salt/Mix) | AI3-27442 | AKOS000109232 |

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

It inhibits the translocation of indole-3-acetic acid transport.TIBA inhibits the colonization of the main root cortex by Laccaria bicolor S238 N and the formation of the Hartig net.Auxin transport inhibitor used to study the role of auxin flow during pla

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180219
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180219
• Sonrisas canónicas: C1=C(C=C(C(=C1C(=O)O)I)I)I
• IUPAC Name: 2,3,5-triiodobenzoic acid
• InChIKey: ZMZGFLUUZLELNE-UHFFFAOYSA-N
• INCHI: 1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
• Isómeros SMILES: C1=C(C=C(C(=C1C(=O)O)I)I)I
• WGK Alemania: 3
• RTECS: DH9275000
• PubChem CID: 6948
• Peso molecular: 499.81
• Beilstein: 1955088
• Reaxy-Rn: 1955088

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: Halobenzoic acids
• Alternative Parents: 3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Iodobenzenes Aryl iodides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
• External Descriptors: organoiodine compound - benzoic acids

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 220-234 °C
• Peso molecular: 499.810 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 499.727 Da
• Monoisotopic Mass: 499.727 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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

Referencias

1. Hua ZHAO, Xiaohui WANG, Yuli ZHANG, Xiaowan HUANG, Yaling JIANG, Huan MA, Li AN, Xujin WU, Qiang WANG.  (2021)  Quantitative 1H NMR for the Direct Quantification of Saikosaponins in Bupleurum chinense DC..  ANALYTICAL SCIENCES,  37  (10): (1413-1418).  [PMID:33775977] [10.2116/analsci.20P462]

2. Wang Yu, Zhang Wenze, Liu Weikang, Ahammed Golam Jalal, Wen Wenxu, Guo Shirong, Shu Sheng, Sun Jin.  (2021)  Auxin is involved in arbuscular mycorrhizal fungi-promoted tomato growth and NADP-malic enzymes expression in continuous cropping substrates.  BMC PLANT BIOLOGY,  21  (1): (1-12).  [PMID:33461504] [10.1186/s12870-020-02817-2]

3. Teng Wang, Zhihua Zhang, Ran Song, Xinlin Tuo, Jigong Wu.  (2015)  Radiopaque polyurethanes with flexible iodine-containing chain extender.  JOURNAL OF APPLIED POLYMER SCIENCE,  132  (44):   [PMID:] [10.1002/app.42693]

4. Tong Yanli, Chen Meng, Huang Xing, Xu Yuzhi, Zhang Lang, Yu Zhenning, Liu Si-Yang, Dai Zong.  (2024)  Aptasensor based on gold nanostructure-decorated 2D Cu metal–organic framework nanosheets for highly sensitive and specific electrochemical lipopolysaccharide detection.  MICROCHIMICA ACTA,  191  (8): (1-11).  [PMID:39088046] [10.1007/s00604-024-06587-8]

5. Kewen Lei, Yipei Chen, Jinyao Wang, Xiaochun Peng, Lin Yu, Jiandong Ding.  (2017)  Non-invasive monitoring of in vivo degradation of a radiopaque thermoreversible hydrogel and its efficacy in preventing post-operative adhesions.  Acta Biomaterialia,      [PMID:28363786] [10.1016/j.actbio.2017.03.042]

6. Zhenye Zhang, Xinliang Guo, Yang Li, Rong Liu, Yu Tan, KeXin Liang, Shenghan Zhang.  (2025)  Bifunctional electrodes enable efficient electrochemical cycling of quinoline.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2025.142196]