3,5-Bis(trifluoromethyl)aniline
Synonym(s):α,α,α,α′,α′,α′-Hexafluoro-3,5-xylidine;5-Amino-α,α,α,α′,α′,α′-hexafluoro-m-xylene
- CAS NO.:328-74-5
- Empirical Formula: C8H5F6N
- Molecular Weight: 229.12
- MDL number: MFCD00000394
- EINECS: 206-335-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-16 18:29:06
What is 3,5-Bis(trifluoromethyl)aniline?
Chemical properties
clear light yellow to yellow-brown liquid
The Uses of 3,5-Bis(trifluoromethyl)aniline
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%.
Properties of 3,5-Bis(trifluoromethyl)aniline
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 | n |
Flash point: | 182 °F |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
form | Liquid |
pka | 2.15±0.10(Predicted) |
Specific Gravity | 1.473 |
color | Clear light yellow to yellow-brown |
Water Solubility | Not miscible in water. |
BRN | 654318 |
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) |
Safety information for 3,5-Bis(trifluoromethyl)aniline
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,5-Bis(trifluoromethyl)aniline
InChIKey | CDIDGWDGQGVCIB-UHFFFAOYSA-N |
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3,5-Bis(trifluoromethyl)aniline
3-((3,5-BIS(TRIFLUOROMETHYL)PHENYL)AMINO)-2-((2-CHLOROPHENYL)CARBONYL)PROP-2-ENENITRILE
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1,2-DI[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIAZ-1-EN-1-IUM-1-OLATE
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1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-THIOUREA
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