4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

C9H3F3N2SCAS 143782-23-4228.19 g/mol

NNSFFF
Alkyl halideIsothiocyanateNitrile

Properties

Molecular formula
C9H3F3N2S
Molar mass
228.19 g/mol
Exact mass
227.9969 Da
logP
3.31Crippen estimate
Polar surface area
36.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, P501

Identifiers

CAS number
143782-23-4
SMILES
N#Cc1ccc(N=C=S)cc1C(F)(F)F
InChIKey
TYXKOMAQTWRDCR-UHFFFAOYSA-N
InChI
InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzonitrile, 4-isothiocyanato-2-(trifluoromethyl)-
  • 4-Cyano-3-trifluoromethylphenylisothiocyanate
  • 4-Isothiocyanato-2-trifluoromethylbenzonitrile
  • 4-Thioisocyanato-2-(trifluoromethyl)benzonitrile

Work with 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere