(BAPT) - ≥99.5% , CAS No.16926-73-1

CAS: 16926-73-1 Cat. No.: B1507202 Molecular Weight: 348.36 EC Number: 878-376-8

GRADE & PURITY ≥99.5%

Storage

Room temperature

Specifications

Specifications & Purity

≥99.5%

Storage

Room temperature

Purity

≥99.5%

Names and Identifiers

• Canonical Smiles: NC1=CC=C(OC(=O)C2=CC=C(C=C2)C(=O)OC2=CC=C(N)C=C2)C=C1
• IUPAC Name: Bis(4-aminophenyl) benzene-1,4-dicarboxylate
• InChIKey: CFTXGNJIXHFHTH-UHFFFAOYSA-N
• INCHI: InChI=1S/C20H16N2O4/c21-15-5-9-17(10-6-15)25-19(23)13-1-2-14(4-3-13)20(24)26-18-11-7-16(22)8-12-18/h1-12H,21-22H2
• Isomeric SMILES: C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N)C(=O)OC3=CC=C(C=C3)N
• Molecular Weight: 348.36
• Reaxy-Rn: 23322182
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23322182&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Depsides and depsidones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Depsides and depsidones
• Alternative Parents: p-Phthalate esters P-phthalic acid and derivatives Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Aniline and substituted anilines Carboxylic acid esters Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Depside backbone - Para-phthalic acid ester - Phthalate ester - Para_phthalic_acid - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
• 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

Chemical and Physical Properties

• Melt Point(°C): 224 °C(dec.)