Pentafluorophenylisothiocyanate

C7F5NSCAS 35923-79-6225.14 g/mol

FFFNSFF
Aryl halideIsothiocyanate

Properties

Molecular formula
C7F5NS
Molar mass
225.14 g/mol
Exact mass
224.9672 Da
logP
3.12Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501

Identifiers

CAS number
35923-79-6
SMILES
Fc1c(F)c(F)c(N=C=S)c(F)c1F
InChIKey
NGNKMRBGZPDABE-UHFFFAOYSA-N
InChI
InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1,2,3,4,5-pentafluoro-6-isothiocyanato-
  • Benzene, pentafluoroisothiocyanato-
  • 1,2,3,4,5-Pentafluoro-6-isothiocyanatobenzene

Work with Pentafluorophenylisothiocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere