A7641612
2-(Trifluoromethyl)benzoic acid , 98% , 433-97-6
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: MFCD00003482
EINECS: 207-093-9
| Pack Size | Price | Stock | Quantity |
| 1G | RMB25.60 | In Stock |
|
| 5G | RMB40.80 | In Stock |
|
| 25G | RMB94.40 | In Stock |
|
| 100G | RMB243.20 | In Stock |
|
| 500g | RMB1060.00 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| InChI | 1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1C(F)(F)F |
| 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) |
Description and Uses
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.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard Codes | Xn,N,Xi |
| Risk Statements | 20/22-51/53-36/37/38 |
| Safety Statements | 61-36-26 |
| RIDADR | UN 1549 6.1/PG 3 |
| WGK Germany | 2 |
| F | 1-10 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
