2-(Trifluoromethyl)benzoic acid
Synonym(s):α,α,α-Trifluoro-o-toluic acid;2-Carboxybenzotrifluoride
- CAS NO.：433-97-6
- Empirical Formula: C8H5F3O2
- Molecular Weight: 190.12
- MDL number: MFCD00002476
- EINECS: 207-093-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-11 14:08:43
What is 2-(Trifluoromethyl)benzoic acid?
Chemical properties
slightly yellow to yellow-brown crystalline powder
The Uses of 2-(Trifluoromethyl)benzoic acid
2-(Trifluoromethyl)benzoic Acid is used in biochemical genetics studies such as Plasmid-encoded phthalate catabolic pathway in Arthrobacter keyseri 12B.
The Uses of 2-(Trifluoromethyl)benzoic acid
2-(Trifluoromethyl)benzoic acid was used in the synthesis of 1,3,4-oxadiazole derivatives containing 2-fluoro-4-methoxy moiety. It was also used to investigate the binding of 2-pyridinone and amino acid derivative as ligands with chaperones PapD and FimC by surface plasmon resonance and 1HNMR spectroscopy.
Definition
ChEBI: A benzoic acid carrying a trifluoromethyl substituent at the 2-position.
Properties of 2-(Trifluoromethyl)benzoic acid
| Melting point: | 107-110 °C(lit.) |
| Boiling point: | 247 °C753 mm Hg(lit.) |
| Density | 3.375 g/mL at 25 °C(lit.) |
| Flash point: | 247-254°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 3.20±0.36(Predicted) |
| form | Crystalline Powder |
| color | Slightly yellow to yellow-brown |
| Water Solubility | 4.8g/L(25 ºC) |
| BRN | 976984 |
| CAS DataBase Reference | 433-97-6(CAS DataBase Reference) |
| NIST Chemistry Reference | «alpha»,«alpha»,«alpha»-Trifluoro-o-toluic acid(433-97-6) |
| EPA Substance Registry System | Benzoic acid, 2-(trifluoromethyl)- (433-97-6) |
Safety information for 2-(Trifluoromethyl)benzoic 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 2-(Trifluoromethyl)benzoic acid
| InChIKey | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
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