4-(Trifluoromethyl)thiophenol
Properties
- Molecular formula
- C7H5F3S
- Molar mass
- 178.17 g/mol
- Exact mass
- 178.0064 Da
- logP
- 2.99Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed27.3% of notifiers
- H302 Harmful if swallowed54.5% of notifiers
- H311 Toxic in contact with skin27.3% of notifiers
- H312 Harmful in contact with skin54.5% of notifiers
- H315 Causes skin irritation72.7% of notifiers
- H319 Causes serious eye irritation81.8% of notifiers
- H331 Toxic if inhaled18.2% of notifiers
- H332 Harmful if inhaled54.5% of notifiers
- H335 May cause respiratory irritation72.7% of notifiers
Aggregated from 11 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
825-83-2SMILES
C1=CC(=CC=C1C(F)(F)F)SInChIKey
WCMLRSZJUIKVCW-UHFFFAOYSA-NInChI
InChI=1S/C7H5F3S/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(Trifluoromethyl)thiophenol
Similar compounds
1,4-Bis(trifluoromethyl)benzene433-19-267 % similar
3,5-Bis(trifluoromethyl)benzenethiol130783-02-757 % similar
4-(Trifluoromethyl)pyridine3796-24-552 % similar
4-Fluorobenzotrifluoride402-44-852 % similar
Tris(4-trifluoromethylphenyl)phosphine13406-29-650 % similar
4-tert-Butylthiophenol2396-68-150 % similar
1-Bromo-4-(trifluoromethyl)benzene402-43-750 % similar
4-(Trifluoromethyl)phenol402-45-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.