3-(Trifluoromethyl)phenylacetone
Synonym(s):1-(α,α,α-Trifluoro-m-tolyl)-2-propanone
- CAS NO.：21906-39-8
- Empirical Formula: C10H9F3O
- Molecular Weight: 202.17
- MDL number: MFCD00000397
- EINECS: 244-652-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-07-20 14:19:32
What is 3-(Trifluoromethyl)phenylacetone?
Chemical properties
CLEAR YELLOW LIQUID
The Uses of 3-(Trifluoromethyl)phenylacetone
3-(Trifluoromethyl)phenylacetone was used in the synthesis of:
- (±)-[1-(3-trifluoromethyl)phenyl]-2-propylamine via reductive amination reaction
- N-{2-[1-methyl-2-(3-trifluoromethylphenyl]}-aminoethanol
Synthesis Reference(s)
The Journal of Organic Chemistry, 61, p. 1748, 1996 DOI: 10.1021/jo9518314
Synthesis, p. 474, 1977
Properties of 3-(Trifluoromethyl)phenylacetone
| Boiling point: | 89-90 °C0.5 mm Hg(lit.) |
| Density | 1.204 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 192 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | clear liquid |
| color | Light yellow to Amber to Dark green |
| Specific Gravity | 1.204 |
| InChI | InChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3 |
| CAS DataBase Reference | 21906-39-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Propanone, 1-[3-(trifluoromethyl)phenyl]-(21906-39-8) |
Safety information for 3-(Trifluoromethyl)phenylacetone
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-(Trifluoromethyl)phenylacetone
| InChIKey | JPHQCDCEBDRIOL-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC(C(F)(F)F)=C1)C(=O)C |
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