4-NITROBENZO-18-CROWN-6 Property

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

InChIKey

LQXOKBZWNFJJGI-UHFFFAOYSA-N

SMILES

O1C2=CC=C([N+]([O-])=O)C=C2OCCOCCOCCOCCOCC1

CAS DataBase Reference

53408-96-1(CAS DataBase Reference)

Safety

Hazard Codes 

Xi,C,F

Risk Statements 

36/37/38-34-11

Safety Statements 

26-36-45-36/37/39-16

WGK Germany 

3

F 

3

HS Code 

29329985

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

4-NITROBENZO-18-CROWN-6 Chemical Properties,Usage,Production

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.]