401-95-6
3,5-bis(trifluoromethyl)benzaldehyde
CAS: 401-95-6
Molecular Formula: C9H4F6O
401-95-6 - Names and Identifiers
| Name | 3,5-bis(trifluoromethyl)benzaldehyde |
| Synonyms | MBT-BAD TIMTEC-BB SBB006661 3,5-diCF3-benzaldehyde radical 3,5-DI(TRIFLUOROMETHYL)BENZALDEHYDE 3,5-BIS(TRIFLUOROMETHYL)BENZALDEHYDE 3,5-bis(trifluoromethyl)benzaldehyde 3,5-Bis(trifluoromethyl)-benzaldehyde Benzaldehyde,3,5-bis(trifluoromethyl)- 3,5- double(three fluoroMethyl)benzeneforMaldehyde |
| CAS | 401-95-6 |
| EINECS | 202-860-4 |
| InChI | InChI=1/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H |
401-95-6 - Physico-chemical Properties
| Molecular Formula | C9H4F6O |
| Molar Mass | 242.12 |
| Density | 1.469g/mLat 25°C(lit.) |
| Boling Point | 37°C1.3mm Hg(lit.) |
| Flash Point | 158°F |
| Water Solubility | Insoluble in water. Soluble in many organic solvents. |
| Vapor Presure | 0.597mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.469 |
| Color | Clear colorless to yellow |
| BRN | 1884058 |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.422(lit.) |
| Use | Used as pharmaceutical, pesticide intermediates |
401-95-6 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| HS Code | 29124990 |
| Hazard Class | IRRITANT |
401-95-6 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Application | 3, 5-bis-trifluoromethylbenzaldehyde is an organic intermediate that can be obtained by oxidation of 3, 5-bis-trifluoromethyl benzyl alcohol. |
| Preparation | The oxidation reaction is carried out in a long-necked single-mouth round bottom flask (50mL) filled with magnetons. First, 5.0 mmol3, 5-ditrifluoromethylbenzyl alcohol and 0.05mmol TEMPO are added to the round bottom flask, then 8mL dichloromethane is added as the reaction solvent, then 0.50mmol hydrochloric acid (HCl) is added, and finally 0.5mmol nitric acid (HNO3) is added, closed and the top of the flask is directly connected to a balloon filled with oxygen. The stirring was stopped after the reaction reached 10 hours at room temperature. Sampling for gas chromatographic analysis After the reaction is complete, the reaction liquid is transferred to a separatory funnel, and then the flask is carefully washed with dichloromethane and the organic solution is combined. The organic phase is washed with saturated Na2S2O3 aqueous solution and NaHCO3 aqueous solution in turn, TEMPO and inorganic salts are removed, the organic layer is dried with anhydrous sodium sulfate, and then evaporated by rotation to remove the organic solvent to obtain pure benzaldehyde, the yield is 95%, and the GC analysis content is more than 99%. |
| use | as an intermediate in medicine and pesticide |
Last Update：2024-04-10 22:29:15
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