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HomeProduct name list4-NITROBENZO-18-CROWN-6

4-NITROBENZO-18-CROWN-6

4-NITROBENZO-18-CROWN-6 Structural

What is 4-NITROBENZO-18-CROWN-6?

Chemical properties

LIGHT YELLOW FLUFFY POWDER

Purification Methods

If impure and discoloured, then chromatograph it through Al2O3 and elute with *C6H6/hexane (1:1) containing 1% MeOH. The fractions are followed by TLC on Al2O3 (with Dragendorff's reagent for detection: RF 0.6 in the above solvent system). Recrystallise the residues from the required fractions from *C6H6/hexane to give yellowish leaflets. It complexes with Na or K ions with logKNa 3.95 and logKK 4.71. [Petranek & Ryba Collect Chem Czech Chem Commun 39 2033 1974.]

Properties of 4-NITROBENZO-18-CROWN-6

Melting point: 82-86 °C
Boiling point: 453.11°C (rough estimate)
Density  1.163
refractive index  1.5230 (estimate)
form  powder to crystal
color  White to Yellow
InChI InChI=1S/C16H23NO8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2
CAS DataBase Reference 53408-96-1(CAS DataBase Reference)

Safety information for 4-NITROBENZO-18-CROWN-6

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 4-NITROBENZO-18-CROWN-6

InChIKey LQXOKBZWNFJJGI-UHFFFAOYSA-N
SMILES O1C2=CC=C([N+]([O-])=O)C=C2OCCOCCOCCOCCOCC1

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