4-(Trifluoromethylthio)benzonitrile

C8H4F3NSCAS 332-26-3203.18 g/mol

NSFFF
Alkyl halideNitrileSulfide

Properties

Molecular formula
C8H4F3NS
Molar mass
203.18 g/mol
Exact mass
203.0017 Da
logP
3.17Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
332-26-3
SMILES
C1=CC(=CC=C1C#N)SC(F)(F)F
InChIKey
ONQNILXHGUBPPM-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H

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

Names and synonyms

1 names
  • 4-((Trifluoromethyl)sulfanyl)benzonitrile

Work with 4-(Trifluoromethylthio)benzonitrile

Similar compounds

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

Same formula

Elsewhere