1,2,4,5-Cyclohexanetetracarboxylic Acid - ≥98% , CAS No.15383-49-0

CAS: 15383-49-0 Cat. No.: C153560 Summenformel: C₁₀H₁₂O₈ Molekulargewicht: 260.2 Beilstein Registry Number: 9(3)4849 EG-Nummer: 625-764-8

GRADE & PURITY ≥98%

Synonyms

DS-7284 | CHEBI:191087 | cyclohexane-1,2,4,5-tetracarboxylicacid | CYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACI | EU-0071256 | 1,2,4,5-cyclohexanetetracarboxylic | MFCD00435556 | SCHEMBL65025 | ZPAKUZKMGJJMAA-UHFFFAOYSA-N | FT-0753730 | C10H12O8 | 1,2,4,5-cycl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

DS-7284 | CHEBI:191087 | cyclohexane-1,2,4,5-tetracarboxylicacid | CYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACI | EU-0071256 | 1,2,4,5-cyclohexanetetracarboxylic | MFCD00435556 | SCHEMBL65025 | ZPAKUZKMGJJMAA-UHFFFAOYSA-N | FT-0753730 | C10H12O8 | 1,2,4,5-cycl

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504762227

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762227

Kanonisches Lächeln

C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O

IUPAC Name

cyclohexane-1,2,4,5-tetracarboxylic acid

InChIKey

ZPAKUZKMGJJMAA-UHFFFAOYSA-N

INCHI

1S/C10H12O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h3-6H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

Isomere SMILES

C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O

WGK Deutschland

3

Molekulargewicht

260.2

Beilstein

9(3)4849

Reaxy-Rn

2627009

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2627009&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): 271°C
• Molekulargewicht: 260.200 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 260.053 Da
• Monoisotopic Mass: 260.053 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: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1