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Substance Name: alpha-Naphthyl isocyanate
RN: 86-84-0
UNII: 5LH2P0691E
InChIKey: BDQNKCYCTYYMAA-UHFFFAOYSA-N

Note

  • Used to separate enantiomers of beta-blockers.

Molecular Formula

  • C11-H7-N-O

Molecular Weight

  • 169.1823
 
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Names and Synonyms

Name of Substance

  • alpha-Naphthyl isocyanate

Synonyms

  • 1-Isocyanatonaphthalene
  • AI3-15382
  • alpha-Naphthyl isocyanate
  • EC 201-703-7
  • EINECS 201-703-7
  • NSC 4023
  • UNII-5LH2P0691E

Systematic Names

  • 1-Naphthyl isocyanate
  • Isocyanic acid, 1-naphthyl ester (8CI)
  • Naphthalene, 1-isocyanato-

Registry Numbers

CAS Registry Number

  • 86-84-0

FDA UNII

  • 5LH2P0691E

System Generated Number

  • 0000086840

Structure Descriptors

InChI

1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H

InChIKey

BDQNKCYCTYYMAA-UHFFFAOYSA-N

Smiles

O=C=Nc1c2c(cccc2)ccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 269 deg C   EXP
log P (octanol-water) 3.770 (none)   EST
Atmospheric OH Rate Constant 2.37E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.