CAS 141179-72-8|4-Fluoro-2-(trifluoromethyl)benzoic acid
Introduction：Basic information about CAS 141179-72-8|4-Fluoro-2-(trifluoromethyl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Fluoro-2-(trifluoromethyl)benzoic acid | ||
|---|---|---|---|
| CAS Number | 141179-72-8 | Molecular Weight | 208.110 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 239.0±40.0 °C at 760 mmHg |
| Molecular Formula | C8H4F4O2 | Melting Point | 121-124 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 98.3±27.3 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 4-fluoro-2-(trifluoromethyl)benzoic acid |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 239.0±40.0 °C at 760 mmHg |
| Melting Point | 121-124 °C(lit.) |
| Molecular Formula | C8H4F4O2 |
| Molecular Weight | 208.110 |
| Flash Point | 98.3±27.3 °C |
| Exact Mass | 208.014740 |
| PSA | 37.30000 |
| LogP | 2.88 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.459 |
| InChIKey | JUHPDXOIGLHXTC-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(F)cc1C(F)(F)F |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2916399090 |
Customs
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Articles2
More Articles| Quantitative structure-metabolism relationships for substituted benzoic acids in the rat. Computational chemistry, NMR spectroscopy and pattern recognition studies. Biochem. Pharmacol. 44(10) , 1935-46, (1992) An extensive set of computed molecular properties, both steric and electronic, have been calculated using molecular orbital and empirical methods for benzoic acid (1) and a congeneric series of substi... | |
| Benzazepinone Nav1.7 blockers: potential treatments for neuropathic pain. Bioorg. Med. Chem. Lett. 17(22) , 6172-7, (2007) A series of benzazepinones were synthesized and evaluated as hNa(v)1.7 sodium channel blockers. Several compounds from this series displayed good oral bioavailability and exposure and were efficacious... |
Synonyms
| 4-fluoro-2-trifluoromethylbenzoic acid |
| Benzoic acid, 4-fluoro-2-(trifluoromethyl)- |
| QVR DF BXFFF |
| 2-trifluoromethyl-4-fluorobenzoic acid |
| 4-Fluoro-2(trifluoromethyl)benzoic acid |
| 2-CF3-4-F-benzoic acid |
| MFCD00040982 |
| 4-Fluoro-2-(trifluoromethyl)benzoic acid |
| α,α,α,4-Tetrafluoro-o-toluic acid |
