CAS 454-92-2|3-(Trifluoromethyl)benzoic acid
Introduction：Basic information about CAS 454-92-2|3-(Trifluoromethyl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(Trifluoromethyl)benzoic acid | ||
|---|---|---|---|
| CAS Number | 454-92-2 | Molecular Weight | 190.119 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 237.7±0.0 °C at 760 mmHg |
| Molecular Formula | C8H5F3O2 | Melting Point | 104-106 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 102.9±27.3 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 3-trifluoromethylbenzoic acid |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 237.7±0.0 °C at 760 mmHg |
| Melting Point | 104-106 °C(lit.) |
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.119 |
| Flash Point | 102.9±27.3 °C |
| Exact Mass | 190.024170 |
| PSA | 37.30000 |
| LogP | 2.95 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.475 |
| InChIKey | FQXQBFUUVCDIRK-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cccc(C(F)(F)F)c1 |
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-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 29163900 |
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% |
Articles8
More Articles| The many roles for fluorine in medicinal chemistry. J. Med. Chem. 51 , 4359-69, (2008) | |
| Studies on the metabolism of fluorinated xenobiotics in the rat using 19F-NMR and 1H-NMR spectroscopy. J. Pharm. Biomed. Anal. 8(8-12) , 939-44, (1990) | |
| Bacterial metabolism of side chain fluorinated aromatics: cometabolism of 3-trifluoromethyl(TFM)-benzoate by Pseudomonas putida (arvilla) mt-2 and Rhodococcus rubropertinctus N657. Arch. Microbiol. 149(3) , 188-97, (1988) The TOL plasmid-encoded enzymes of the methylbenzoate pathway in Pseudomonas putida mt-2 cometabolized 3-trifluoromethyl (TFM)-benzoate. Two products, 3-TFM-1,2-dihydroxy-2-hydrobenzoate (3-TFM-DHB) a... |
Synonyms
| 3-trifluoromethylbenzoicacid |
| MFCD00002519 |
| m-(Trifluoromethyl)benzoic acid |
| QVR CXFFF |
| α,α,α-Trifluoro-m-toluic acid |
| m-CARBOXYBENZOTRIFLUORIDE |
| EINECS 207-230-2 |
| 3-Carboxybenzotrifluoride |
| a,a,a-trifluoro-m-toluic acid |
| Benzoic acid, 3-(trifluoromethyl)- |
| m-Toluic acid, α,α,α-trifluoro- |
| m-Trifluoromethylbenzoic acid |
| 3-(Trifluoromethyl)benzoic acid |
