1,1,1-Trifluoro-3-phenyl-2-propanone
Properties
- Molecular formula
- C9H7F3O
- Molar mass
- 188.15 g/mol
- Exact mass
- 188.0449 Da
- Boiling point
- 163–163.5 °C (at 741 Torr)
- logP
- 2.36Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor91.1% of notifiers
- H315 Causes skin irritation13.3% of notifiers
- H319 Causes serious eye irritation13.3% of notifiers
- H335 May cause respiratory irritation13.3% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
350-92-5SMILES
O=C(Cc1ccccc1)C(F)(F)FInChIKey
IAJKTOIWQHTZOS-UHFFFAOYSA-NInChI
InChI=1S/C9H7F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2-Propanone, 1,1,1-trifluoro-3-phenyl-
- Trifluoromethyl benzyl ketone
- Benzyl trifluoromethyl ketone
- 1,1,1-Trifluoro-3-phenylpropan-2-one
- 3-Phenyl-1,1,1-trifluoro-2-propanone
- NSC 10062
- 1-Phenyl-3,3,3-Trifluoro-2-propanone
- 1,1,1-Trifluoro-3-phenylacetone
Work with 1,1,1-Trifluoro-3-phenyl-2-propanone
Similar compounds
4,4,4-Trifluoro-1-phenyl-1,3-butanedione326-06-755 % similar
Dibenzyl ketone102-04-550 % similar
Hexafluoroacetylacetone1522-22-150 % similar
Methyl phenylacetate101-41-745 % similar
Phenylacetone103-79-745 % similar
Phenylacetyl chloride103-80-045 % similar
Phenylacetic acid103-82-245 % similar
2,2,2-Trifluoro-1-phenylethanone434-45-745 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds