2-TrifluoroMethyl-4-nitrobenzoic acid
4-Nitro-2-(trifluoromethyl)benzoic acid
CAS: 320-37-6
Molecular Formula: C8H4F3NO4
2-TrifluoroMethyl-4-nitrobenzoic acid - Names and Identifiers
| Name | 4-Nitro-2-(trifluoromethyl)benzoic acid |
| Synonyms | 4-Nitro-2-trifluoromethylbenzo 2-Carboxy-5-nitrobenzotrifluoride 4-Nitro-2-trifluoromethylbenzoicacid 2-TrifluoroMethyl-4-nitrobenzoic acid 4-Nitro-2-(trifluoromethyl)benzoic acid 4-nitro-2-(trifluoromethyl)-Benzoic acid benzoic acid, 4-nitro-2-(trifluoromethyl)- Benzoic acid, 4-nitro-2-(trifluoromethyl)- |
| CAS | 320-37-6 |
| InChI | InChI=1/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14) |
| InChIKey | BPCKZQCTLCTDST-UHFFFAOYSA-N |
2-TrifluoroMethyl-4-nitrobenzoic acid - Physico-chemical Properties
| Molecular Formula | C8H4F3NO4 |
| Molar Mass | 235.12 |
| Density | 1.596±0.06 g/cm3(Predicted) |
| Melting Point | 138-142 °C (lit.) |
| Boling Point | 321.4±42.0 °C(Predicted) |
| Flash Point | 148.2°C |
| Vapor Presure | 0.000124mmHg at 25°C |
| Appearance | Powder |
| Color | White to off-white |
| pKa | 2.40±0.32(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.518 |
2-TrifluoroMethyl-4-nitrobenzoic acid - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36 - Irritating to the eyes R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29163990 |
2-TrifluoroMethyl-4-nitrobenzoic acid - Reference Information
| introduction | 4-nitro-2-(trifluoromethyl) benzoic acid is white to light yellow crystal powder, density: 1.596g/cm3, boiling point: 321.4 ° C at 760mmHg, melting point: 138-142°C(lit.). It can be prepared by a variety of synthetic routes. |
| Uses | 4-nitro-2-(trifluoromethyl) benzoic acid is a carboxylic acid derivative, mainly used as an intermediate in medicine and pesticides. |
| preparation | add 5g of 2-trifluoromethylbenzocyanine to the three-mouth bottle, add 10 mL of nitrating agent dropwise, raise the temperature to 70°C, stir magnetically for 3 h, and end the reaction. Add 30 ml of water, separate the liquid, take the organic layer, the water layer is extracted once with 30 ml of ethyl acetate, combine the organic phase, dry with anhydrous sodium sulfate, and spin steaming to obtain 6.5 g solid, 4-nitro-2-(trifluoromethyl) benzoic acid. |
Last Update：2024-04-09 21:01:54
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