17-isocyanato-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene

Names

[ CAS No. ]:
83935-62-0

[ Name ]:
17-isocyanato-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene

[Synonym ]:
4'-isocyanatobenzo-15-crown-5

Chemical & Physical Properties

[ Density]:
1.22g/cm3

[ Boiling Point ]:
460.8ºC at 760 mmHg

[ Melting Point ]:
35-39ºC

[ Molecular Formula ]:
C15H19NO6

[ Molecular Weight ]:
309.31400

[ Flash Point ]:
202.6ºC

[ Exact Mass ]:
309.12100

[ PSA ]:
75.58000

[ LogP ]:
1.47490

[ Index of Refraction ]:
1.527

MSDS

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Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
37/39-26

Synthetic Route

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Precursor & DownStream

Precursor

  • phosgene
  • 4'-Aminobenzo-15-crown-5
  • 4'-Nitrobenzo-15-crown-5
  • benzo-15-crown-5

DownStream

  • 1-(2-morpholin-4-ylethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-16,18,20-trien-18-yl)urea
  • Urea,N-(2-hydroxyethyl)-N'-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-