m-(Trifluoromethyl)phenylacetic acid
Synonym(s):(α,α,α-Trifluoro-m-tolyl)acetic acid
- CAS NO.：351-35-9
- Empirical Formula: C9H7F3O2
- Molecular Weight: 204.15
- MDL number: MFCD00004339
- EINECS: 206-511-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-30 16:33:02
What is m-(Trifluoromethyl)phenylacetic acid?
Chemical properties
white to pale yellow crystalline powder
The Uses of m-(Trifluoromethyl)phenylacetic acid
3-(Trifluoromethyl)phenylacetic acid is used as a reactant in a mechanistic study on ligand-accelerated C-H activation reactions.
Properties of m-(Trifluoromethyl)phenylacetic acid
| Melting point: | 76-79 °C(lit.) |
| Boiling point: | 238C/775Torr |
| Density | 1.357±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 4.14±0.10(Predicted) |
| color | White to Almost white |
| BRN | 2213223 |
| InChI | InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14) |
| CAS DataBase Reference | 351-35-9(CAS DataBase Reference) |
| EPA Substance Registry System | Benzeneacetic acid, 3-(trifluoromethyl)- (351-35-9) |
Safety information for m-(Trifluoromethyl)phenylacetic acid
| 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 |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 m-(Trifluoromethyl)phenylacetic acid
| InChIKey | BLXXCCIBGGBDHI-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=CC(C(F)(F)F)=C1 |
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