3-(Trifluoromethoxy)benzenethiol
Properties
- Molecular formula
- C7H5F3OS
- Molar mass
- 194.17 g/mol
- Exact mass
- 194.0013 Da
- logP
- 2.87Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed12.5% of notifiers
- H302 Harmful if swallowed87.5% of notifiers
- H311 Toxic in contact with skin12.5% of notifiers
- H312 Harmful in contact with skin87.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage25% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H330 Fatal if inhaled12.5% of notifiers
- H332 Harmful if inhaled87.5% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
220239-66-7SMILES
FC(F)(F)Oc1cccc(S)c1InChIKey
GEJGGOYNWFQKKH-UHFFFAOYSA-NInChI
InChI=1S/C7H5F3OS/c8-7(9,10)11-5-2-1-3-6(12)4-5/h1-4,12HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzenethiol, 3-(trifluoromethoxy)-
- 3-(Trifluoromethyloxy)thiophenol
- 3-(Trifluoromethoxy)benzene-1-thiol
Work with 3-(Trifluoromethoxy)benzenethiol
Similar compounds
3-(Trifluoromethoxy)fluorobenzene1077-01-662 % similar
1-Chloro-3-(trifluoromethoxy)benzene772-49-662 % similar
3-(Trifluoromethoxy)anisole142738-94-158 % similar
3-(Trifluoromethoxy)aniline1535-73-558 % similar
3-(Trifluoromethoxy)iodobenzene198206-33-658 % similar
1-Bromo-3-(trifluoromethoxy)benzene2252-44-058 % similar
3-(Trifluoromethoxy)phenol827-99-658 % similar
(Trifluoromethoxy)benzene456-55-356 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.