4-(Trifluoroacetyl)toluene
Properties
- Molecular formula
- C9H7F3O
- Molar mass
- 188.15 g/mol
- Exact mass
- 188.0449 Da
- logP
- 2.74Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
394-59-2SMILES
CC1=CC=C(C=C1)C(=O)C(F)(F)FInChIKey
DYILUJUELMWXAL-UHFFFAOYSA-NInChI
InChI=1S/C9H7F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(Trifluoroacetyl)toluene
Similar compounds
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4-(Trifluoroacetyl)benzoic acid58808-59-658 % similar
4'-N-Butyl-2,2,2-trifluoroacetophenone40739-44-454 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds