1-Naphthyl isothiocyanate

C11H7NSCAS 551-06-4185.24 g/mol

SN
Isothiocyanate

Properties

Molecular formula
C11H7NS
Molar mass
185.24 g/mol
Exact mass
185.0299 Da
Density
1.81 g/mL
Melting point
58 °C
Boiling point
190 °C (at 20 Torr)
Water solubility
< 1 g/L (20 °C)
logP
3.57Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number
551-06-4
SMILES
S=C=Nc1cccc2ccccc12
InChIKey
JBDOSUUXMYMWQH-UHFFFAOYSA-N
InChI
InChI=1S/C11H7NS/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 and density.

Names and synonyms

8 names
  • α-Naphthyl isothiocyanate
  • ANI
  • ANIT
  • Naphthalene, 1-isothiocyanato-
  • Isothiocyanic acid, 1-naphthyl ester
  • 1-Isothiocyanatonaphthalene
  • NSC 89741
  • Naphthalen-1-yl isothiocyanate

Reactions

Work with 1-Naphthyl isothiocyanate

Similar compounds

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

Elsewhere