7401-03-8

Basic information

• Product Name: Ethyl 9H-xanthene-9-carboxylate
• Synonyms: XANTHENE-9-CARBOXYLIC ACID ETHYL ESTER;LABOTEST-BB LT00453714;ETHYL XANTHENE-9-CARBOXYLATE;ETHYL 9H-XANTHENE-9-CARBOXYLATE;Nsc37339
• CAS NO: 7401-03-8
• Molecular Formula: C₁₆H₁₄O₃
• Molecular Weight: 254.28
• Mol File: 7401-03-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 66-68°C
• Boiling Point: 629.302 °C at 760 mmHg
• Flash Point: 348.398 °C
• Appearance: /
• Density: 1.144 g/cm³
• Vapor Pressure: 5.82E-05mmHg at 25°C
• Refractive Index: 1.586
• CAS DataBase Reference: Ethyl 9H-xanthene-9-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 9H-xanthene-9-carboxylate(7401-03-8)
• EPA Substance Registry System: Ethyl 9H-xanthene-9-carboxylate(7401-03-8)

Safety Data

• Hazardous Substances Data: 7401-03-8(Hazardous Substances Data)

Usage

General Description

Ethyl 9H-xanthene-9-carboxylate is a chemical compound chiefly used in the field of scientific research. It is a derivative of xanthene, which is an organic substance related to anthracene and phenanthrene. Its molecular formula is C16H12O3, and it is categorized under the broad group of xanthenes. Ethyl 9H-xanthene-9-carboxylate is generally seen in solid form and is relatively stable under normal conditions. Primarily, it is used as an intermediate in the process of manufacturing several organic chemical products and may sometimes serve as a reagent in specific chemical reactions.

InChI:InChI=1/C16H14O3/c1-2-18-16(17)15-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3

Upstream product

• 64-17-5 ethanol 
• 82-07-5 xanthene-9-carboxylic acid 
• 92-83-1 xanthene 
• 90-47-1 xanth-9-one 

Downstream Products

• 70650-94-1 Spiro-2-on 

Relevant articles and documents

High-Fidelity Dimerization of Xanthenyl Radicals and Dynamic Qualities of a Congested Ethane: Diethyl Dixanthenyl-9,9′-Dicarboxylate

Exploration of the sterically-congested ethane diethyl dixanthenyl-9,9′-dicarboxylate has revealed the dynamic behavior arising from its congested C?C bond. Interlocking ‘geared’ substituents and favorable dispersion interactions around this bond result in a conformational preference for partially cofacial xanthene moieties both in solid state and as dilute solutions. The weak, centrally located C?C bond is 1.628 ? long and permits selective thermolysis to yield two carbon-centered ethyl xanthenyl-9-carboxylate radicals, which dimerize with high fidelity into the original sterically-congested ethane. Recombination of the radicals into this symmetrical head-to-head dimer is highly reproducible – by observing the equilibrium, the bond dissociation enthalpy was calculated to be 20.4 kcal ? mol?1. The substituents around the central carbon provide insufficient stabilization against oxygen, which consumes the radicals and unbalances the dimer-radical equilibrium.