Trimellitic acid - ≥96% , CAS No.528-44-9

CAS: 528-44-9 Cat. No.: T130015 Peso molecular: 210.14 Beilstein Registry Number: 2214815 Número EC: 208-432-3 PubChem CID: 10708

GRADE & PURITY ≥96%

Synonyms

Z203045298 | TRIMELLITIC ACID [MI] | AS-17898 | Tox21_201939 | InChI=1/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15 | TRIMELLITIC ACID | A7713 | Benzene-1,2,4-tricarboxylic acid | CAS-528-44-9 | CCG-245088 | NCGC00256331-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z203045298 | TRIMELLITIC ACID [MI] | AS-17898 | Tox21_201939 | InChI=1/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H, (H, 10, 11)(H, 12, 13)(H, 14, 15 | TRIMELLITIC ACID | A7713 | Benzene-1, 2, 4-tricarboxylic acid | CAS-528-44-9 | CCG-245088 | NCGC00256331-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504751990
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751990
• Sonrisas canónicas: C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O
• IUPAC Name: benzene-1,2,4-tricarboxylic acid
• InChIKey: ARCGXLSVLAOJQL-UHFFFAOYSA-N
• INCHI: 1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
• Isómeros SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O
• WGK Alemania: 2
• RTECS: DC1980000
• PubChem CID: 10708
• Peso molecular: 210.14
• Beilstein: 2214815
• Reaxy-Rn: 2214815

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: tricarboxylic acid

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: Slightly soluble in water; Degree of Solubility in water: 21 g/l 25 °C; Soluble in Methanol,Acetone,Dimethylformamide,Ethanol,Ether; Insoluble in Benzene,Chloroform
• Punto de fusión (°C): 229-231°C
• Peso molecular: 210.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 210.016 Da
• Monoisotopic Mass: 210.016 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 297.000
• 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

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