Pyromellitic Acid - ≥98%(T) , CAS No.89-05-4

CAS: 89-05-4 Cat. No.: P160576 Peso molecular: 254.15 Beilstein Registry Number: 9997 Número EC: 201-879-5

GRADE & PURITY ≥98%(T)

Synonyms

Z203045292 | 1,4,5-Benzenetetracarboxylic acid | 1,4,5-Tetracarboxybenzene | BRN 1887659 | W-100384 | EC 201-879-5 | 4-09-00-03804 (Beilstein Handbook Reference) | CAS-89-05-4 | BDBM512625 | NSC6369 | NSC-6369 | AS-14280 | NCGC00255745-01 | AE-562/4328261

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z203045292 | 1, 4, 5-Benzenetetracarboxylic acid | 1, 4, 5-Tetracarboxybenzene | BRN 1887659 | W-100384 | EC 201-879-5 | 4-09-00-03804 (Beilstein Handbook Reference) | CAS-89-05-4 | BDBM512625 | NSC6369 | NSC-6369 | AS-14280 | NCGC00255745-01 | AE-562/4328261

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
• IUPAC Name: benzene-1,2,4,5-tetracarboxylic acid
• InChIKey: CYIDZMCFTVVTJO-UHFFFAOYSA-N
• INCHI: 1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
• Isómeros SMILES: C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
• RTECS: DB9275000
• Peso molecular: 254.15
• Beilstein: 9997
• Reaxy-Rn: 1887659
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1887659&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tetracarboxylic 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 tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: tetracarboxylic acid - 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: Solubility in Methanol very faint turbidity;Soluble in alcohol.
• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): 617.0 °F
• Punto de inflamación (°C): 325 °C
• Punto de fusión (°C): 281-284.5 °C
• Peso molecular: 254.150 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 254.006 Da
• Monoisotopic Mass: 254.006 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 327.000
• 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

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