chempirical

1-Naphthyl isocyanate

C11H7NOCAS 86-84-0169.18 g/mol

Open in Covalent MOL file
ON
Isocyanate

Properties

Molecular formula
C11H7NO
Molar mass
169.18 g/mol
Exact mass
169.0528 Da
Melting point
below 25 °C
Boiling point
269 °C
logP
2.81Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
86-84-0
SMILES
O=C=Nc1cccc2ccccc12
InChIKey
BDQNKCYCTYYMAA-UHFFFAOYSA-N
InChI
InChI=1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Naphthalene, 1-isocyanato-
  • Isocyanic acid, 1-naphthyl ester
  • 1-Isocyanatonaphthalene
  • α-Naphthyl isocyanate
  • 1-Naphthalene isocyanate
  • Naphthalen-1-ylisocyanate
  • NSC 4023

Work with 1-Naphthyl isocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Naphthalene diisocyanate3173-72-676 % similar 1-Naphthyl isothiocyanate551-06-460 % similar 2-Chlorophenyl isocyanate3320-83-057 % similar Toluene 2,6-diisocyanate91-08-753 % similar 1-Iodo-2-isocyanatobenzene128255-31-252 % similar 2-Fluorophenyl isocyanate16744-98-252 % similar 2-Methylphenyl isocyanate614-68-652 % similar Phenyl isocyanate103-71-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Naphtholactam130-00-7 2-Naphthyl isocyanate2243-54-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook