4-(Trifluoromethyl)aniline
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4-(Trifluoromethyl)aniline
structure -
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CAS No:
455-14-1
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Formula:
C7H6F3N
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Chemical Name:
4-(Trifluoromethyl)aniline
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Synonyms:
Benzenamine,4-(trifluoromethyl)-;p-Toluidine,α,α,α-trifluoro-;4-(Trifluoromethyl)benzenamine;p-Aminobenzotrifluoride;p-(Trifluoromethyl)aniline;α,α,α-Trifluoro-p-toluidine;p-Amino-α,α,α-trifluorotoluene;4-(Trifluoromethyl)aniline;4-Aminobenzotrifluoride;4-Amino-α,α,α-benzotrifluoride;(4-(Trifluoromethyl)phenyl)amine;NSC 10337;p-Trifluoromethylphenylamine;1-Amino-4-(trifluoromethyl)benzene
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CAS No:
Description
clear colorless to yellow liquid
4-trifluoromethylaniline is a substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4. It has a role as a metabolite. It is a substituted aniline and a member of (trifluoromethyl)benzenes.
4-(Trifluoromethyl)aniline Basic Attributes
161.12
161.12
1564853
207-236-5
RQJ623MB8G
10337
DTXSID5060013
29214300
Characteristics
26
2.4
Clear colorless to yellow Liquid
1.283 g/cm3 @ Temp: 27 °C
38 °C
117.5 °C
188 °F
1.478
H2O: <0.1 g/100 mL
Refrigerator, Under Inert Atmosphere
0.554mmHg at 25°C
Safety Information
Ⅲ
6.1
UN 2810 6.1/PG 3
3
25-36-50/53-36/37/38-33-20/21/22
26-45-60-61-36/37/39-36
XU9260000
T,N,Xi,Xn
Toxic/Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P273-P301 + P310-P305 + P351 + P338-P501
H301-H319-H410
4-(Trifluoromethyl)aniline Use and Manufacturing
The preparation methods are as follows. The method of p-nitrotoluene as the raw material uses p-nitrotoluene as the raw material to perform bromination with bromine to form p-dibromomethylnitrobenzene, and then bromine with sodium hypobromite to generate p-tribromomethylnitrobenzene, It is then fluorinated with antimony trifluoride and then reduced with tin dichloride to obtain p-trifluoromethylaniline. This method is a classic method, the raw materials used are easily available, but bromine requires more bromine, and it is only an intermediate transition, but also needs to be fluorinated with SbF3, SnCl2 reduction, the process is complicated, and the three wastes are more difficult to industrialize. If chlorination can be used instead of bromination, HF can be used for fluorination, and conventional reduction methods are used for reduction, it will have certain industrial significance. P-chlorotrifluorotoluene is used as a raw material to react p-chlorotrifluorotoluene with ammonia under high pressure and high temperature (150-240°C) to produce p-trifluoromethylaniline. Although p-chlorotrifluorotoluene is already an industrialized commodity, the conditions of ammonolysis are more severe, and industrialization is difficult. P-trichloromethylbenzene isocyanate is used as a raw material method to produce p-trifluoromethylaniline hydrofluoride by reacting p-trichloromethylbenzene isocyanate with hydrogen fluoride, and then reacting with alkali. This method is a method developed in recent years abroad, and p-trichloromethylbenzene isocyanate can use p-methylaniline as a raw material, and can generate p-trichloromethylchloroformanilide through phosgene, and further generate p-trichloromethylbenzene Isocyanate.
Trimethyl acetyl chloride, also known as pivaloyl chloride, is an intermediate for the production of carbamate insecticide azoles aphid and an intermediate for the herbicide isoxazolone. It can be used to synthesize amides and phenolic esters. The raw material is used to produce (hydroxy)ampicillin, cephalosporin (hydroxy)ampicillin, cefazolin, dipivaloyl adrenal glands and other drugs, in addition, it is also used to synthesize tert-butyl peroxide t-valerate. Used as an acylating reagent, used in the production of drugs such as ampicillin and cephalexin
Benzenamine, 4-(trifluoromethyl)-: ACTIVE
Computed Properties
Molecular Weight:161.12
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:161.04523368
Monoisotopic Mass:161.04523368
Topological Polar Surface Area:26
Heavy Atom Count:11
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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