3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
Synonym(s):3-[2-(Trifluoromethyl)phenyl]propanoic acid
- CAS NO.：94022-99-8
- Empirical Formula: C10H9F3O2
- Molecular Weight: 218.17
- MDL number: MFCD06823965
- EINECS: 301-594-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
![3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid Structural](https://img.chemicalbook.in/CAS/GIF/94022-99-8.gif)
What is 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid?
Chemical properties
White powder
The Uses of 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
3-?[2-?(Trifluoromethyl)?phenyl]?propionic Acid is a reactant used in the synthesis of small molecule inhibitors of anthrax toxin.
Definition
ChEBI: A monocarboxylic acid comprising propionic acid having a 2-(trifluoromethyl)phenyl group at the 3-position.
Properties of 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
| Melting point: | 84-88 °C |
| Boiling point: | 266.9±35.0 °C(Predicted) |
| Density | 1.307±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.53±0.10(Predicted) |
| color | White |
Safety information for 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral 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. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
| InChIKey | YTDVNFDGHHHPEE-UHFFFAOYSA-N |
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