chempirical

2-Naphthyl isocyanate

C11H7NOCAS 2243-54-1169.18 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
56 °C
Boiling point
144 °C (at 14 Torr)
logP
2.81Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2243-54-1
SMILES
O=C=Nc1ccc2ccccc2c1
InChIKey
XIXJQNFTNSQTBT-UHFFFAOYSA-N
InChI
InChI=1S/C11H7NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H

Weigh it out

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

Names and synonyms

5 names
  • Naphthalene, 2-isocyanato-
  • 2-Isocyanatonaphthalene
  • β-Naphthyl isocyanate
  • (Naphthalen-2-yl)isocyanate
  • NSC 5529

Work with 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diisocyanatobenzene123-61-562 % similar P-Phenylene diisocyanate104-49-456 % similar Phenyl isocyanate103-71-956 % similar 3,4-Dichlorophenyl isocyanate102-36-352 % similar 3-Chlorophenyl isocyanate2909-38-852 % similar 3-Fluorophenyl isocyanate404-71-752 % similar 3-Bromophenyl isocyanate23138-55-850 % similar 3-Methylphenyl isocyanate621-29-450 % similar

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

Same formula

Naphtholactam130-00-7 1-Naphthyl isocyanate86-84-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook