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| | 3,5-Bis(trifluoromethyl)aniline Basic information |
| Product Name: | 3,5-Bis(trifluoromethyl)aniline | | Synonyms: | ,,,’,’,’-Hexafluoro-3,5-xylidine;,5-Bis-trifluoromethyl-phenylamine;,5-Xylidine, a,a,a,a',a',a'-hexafluoro-;,a,a,a',a',a'-Hexafluoro-3,5-xylidine;3,5-bis(trifluoromethyl)-anilin;3,5-bis(trifluoromethyl)-benzenamin;3,5-Bis(trifluoromethyl)benzenamine;3,5-Di(trifluorometh | | CAS: | 328-74-5 | | MF: | C8H5F6N | | MW: | 229.12 | | EINECS: | 206-335-0 | | Product Categories: | Aniline series;Fluorobenzene;Anilines, Aromatic Amines and Nitro Compounds;Miscellaneous;Trifluoromethylbenzene serise | | Mol File: | 328-74-5.mol |  |
| | 3,5-Bis(trifluoromethyl)aniline Chemical Properties |
| Melting point | 168.2-169.2 °C | | Boiling point | 85 °C15 mm Hg(lit.) | | density | 1.467 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.434(lit.) | | Fp | 182 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | pka | 2.15±0.10(Predicted) | | form | Liquid | | color | Clear light yellow to yellow-brown | | Specific Gravity | 1.473 | | Water Solubility | Not miscible in water. | | BRN | 654318 | | InChI | 1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2 | | InChIKey | CDIDGWDGQGVCIB-UHFFFAOYSA-N | | SMILES | Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F | | CAS DataBase Reference | 328-74-5(CAS DataBase Reference) | | NIST Chemistry Reference | Benzenamine, 3,5-bis(trifluoromethyl)-(328-74-5) | | EPA Substance Registry System | Benzenamine, 3,5-bis(trifluoromethyl)- (328-74-5) |
| Hazard Codes | Xi,Xn | | Risk Statements | 33-36/37/38-20/21/22 | | Safety Statements | 26-36/37/39-36 | | RIDADR | 2810 | | WGK Germany | 3 | | RTECS | ZE9800000 | | Hazard Note | Irritant | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29214910 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,5-Bis(trifluoromethyl)aniline Usage And Synthesis |
| Chemical Properties | clear light yellow to yellow-brown liquid | | Uses | 3,5-Bis(trifluoromethyl)aniline was found to be a highly efficient monodentate transient directing group (MonoTDG) for the palladium-catalyzed direct dehydrogenative cross-coupling of benzaldehydes with arenes. | | Synthesis | The synthesis of 3,5-Bis(trifluoromethyl)aniline is as follows is as follows：Put 259g (1mol) 3,5-Bis(trifluoromethyl)nitrobenzeneand 500g ethyl acetate into a 1L autoclave, add 5g palladium-carbon as a catalyst, raise the temperature to 60℃, then pass the hydrogen pressure to 2MPa, keep the temperature and react for 20 hours, then cooling, filtration, concentration, and distillation to obtain 3,5-Bis(trifluoromethyl)aniline with a purity of 98.5% and a yield of 87%.
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| | 3,5-Bis(trifluoromethyl)aniline Preparation Products And Raw materials |
| Raw materials | Toluene-->Nitric acid | | Preparation Products | 5,7-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE-->5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-->IMD-0354-->5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID-->4-HYDROXY-5,7-BIS-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER-->3,5-Bis(trifluoromethyl)phenol-->3,5-bis(trifluoromethyl)benzenediazonium-->3,5-BIS(TRIFLUOROMETHYL)-N-(BROMOACETYL)ANILINE-->tert-butyl 3,5-bis(trifluoromethyl)phenylcarbamate-->2-(2-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]HYDRAZONO)MALONONITRILE-->1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea, 97%-->N1-methyl-3,5-di(trifluoromethyl)aniline |
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