4-(Trifluoromethylthio)benzonitrile
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
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H301 Toxic if swallowed33.3% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled33.3% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
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
332-26-3SMILES
C1=CC(=CC=C1C#N)SC(F)(F)FInChIKey
ONQNILXHGUBPPM-UHFFFAOYSA-NInChI
InChI=1S/C8H4F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4HWeigh it out
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
[(Trifluoromethyl)thio]benzene456-56-456 % similar
4-(Trifluoromethylthio)phenylacetonitrile70124-90-255 % similar
4-(Methylthio)benzonitrile21382-98-950 % similar
4-(Trifluoromethylthio)bromobenzene333-47-150 % similar
4-[(Trifluoromethyl)thio]benzenamine372-16-750 % similar
1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-950 % similar
4-(Trifluoromethyl)benzonitrile455-18-550 % similar
4-(Trifluoromethylthio)phenol461-84-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds