4568-45-0

Basic information

• Product Name: 2-[1-amino-9,10-bis(sulphooxy)-2-anthryl]anthra[2,3-d]oxazole-5,10-diyl bis(hydrogen sulphate)
• Synonyms: 2-[1-amino-9,10-bis(sulphooxy)-2-anthryl]anthra[2,3-d]oxazole-5,10-diyl bis(hydrogen sulphate);2-[1-Amino-9,10-bis(sulfooxy)anthracen-2-yl]anthra[2,3-d]oxazole-5,10-diylbis(hydrogen sulfate);Einecs 224-946-0
• CAS NO: 4568-45-0
• Molecular Formula: C29H18N2O17S4
• Molecular Weight: 794.71642
• EINECS: 224-946-0
• Mol File: 4568-45-0.mol
• Article Data: 0

Chemical Properties

• Appearance: /
• Density: 1.949g/cm³
• Refractive Index: 1.845
• CAS DataBase Reference: 2-[1-amino-9,10-bis(sulphooxy)-2-anthryl]anthra[2,3-d]oxazole-5,10-diyl bis(hydrogen sulphate)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[1-amino-9,10-bis(sulphooxy)-2-anthryl]anthra[2,3-d]oxazole-5,10-diyl bis(hydrogen sulphate)(4568-45-0)
• EPA Substance Registry System: 2-[1-amino-9,10-bis(sulphooxy)-2-anthryl]anthra[2,3-d]oxazole-5,10-diyl bis(hydrogen sulphate)(4568-45-0)

Safety Data

• Hazardous Substances Data: 4568-45-0(Hazardous Substances Data)

Usage

Molecular structure

Consists of two anthracene units connected by an oxazole ring, with two sulphate groups attached to each anthracene unit.

Functional groups

Contains an amino group (-NH2) and hydrogen sulphate groups (-HSO4).

Chemical classification

A complex organic molecule with both anthracene and oxazole moieties.

Potential applications

May be used in various fields such as chemistry, materials, and pharmaceuticals due to its complex properties.

Charge distribution

The presence of sulphate groups and the amino group may result in a negatively charged compound, depending on the pH and environmental conditions.

Solubility

The compound may exhibit varying solubility in different solvents, with a higher solubility in polar solvents due to the presence of sulphate and amino groups.

Stability

The compound's stability may be influenced by the presence of the oxazole ring and the various functional groups attached to the anthracene units.

Reactivity

The presence of the amino group and the hydrogen sulphate groups may make the compound reactive towards certain chemical reactions, such as nucleophilic substitution or acid-base reactions.

Spectroscopic properties

The compound may exhibit unique spectroscopic properties, such as UV-Vis and NMR spectra, due to its complex molecular structure and functional groups.

Synthesis

The synthesis of this compound may involve multiple steps, including the formation of the oxazole ring, the attachment of the anthracene units, and the introduction of the sulphate and amino groups.

InChI:InChI=1/C29H18N2O17S4/c30-24-18(10-9-17-23(24)28(48-52(41,42)43)16-8-4-3-7-15(16)25(17)45-49(32,33)34)29-31-21-11-19-20(12-22(21)44-29)27(47-51(38,39)40)14-6-2-1-5-13(14)26(19)46-50(35,36)37/h1-12H,30H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)