4-Chloro-3-(trifluoromethyl)aniline
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4-Chloro-3-(trifluoromethyl)aniline
structure -
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CAS No:
320-51-4
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Formula:
C7H5ClF3N
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Chemical Name:
4-Chloro-3-(trifluoromethyl)aniline
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Synonyms:
Benzenamine,4-chloro-3-(trifluoromethyl)-;m-Toluidine,4-chloro-α,α,α-trifluoro-;4-Chloro-3-(trifluoromethyl)benzenamine;4-Chloro-3-(trifluoromethyl)aniline;3-(Trifluoromethyl)-4-chloroaniline;4-Chloro-α,α,α-trifluoro-m-toluidine;5-Amino-2-chlorobenzotrifluoride;3-Amino-6-chlorobenzotrifluoride;NSC 61405;(4-Chloro-3-trifluoromethylphenyl)amine;2-Chloro-5-aminobenzotrifluoride;3-Trifluoromethyl-4-chlorophenylamine
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CAS No:
Description
white to pinkish crystalline powder
5-amino-2-chlorobenzotrifluoride is a monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline. It has a role as an epitope. It is a chloroaniline, a member of monochlorobenzenes and a member of (trifluoromethyl)benzenes.
4-Chloro-3-(trifluoromethyl)aniline Basic Attributes
195.57
195.57
641588
206-277-6
000N5814MR
61405
DTXSID7059804
29214300
Characteristics
26
3.5
White to pinkish or slightly orange Crystalline Powder or Low Melting Solid
1.4±0.1 g/cm3
36-37 °C
132 °C @ Press: 27 Torr
>230 °F
1.500
Refrigerator
Safety Information
III
6.1
UN2811
2
36/37/38-23/24/25-22-36/38-20/21/22
22-24/25-45-36-26-36/37
Xi,T,Xn
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H302-H315-H319-H335
4-Chloro-3-(trifluoromethyl)aniline Use and Manufacturing
1-Chloro-4-nitro-2-(trifluoromethyl)benzene (113 mg, 0.50 mmol), Fe nano particles (6 mg), and NaBH4 (28.5 mg, 0.75 mmol) in 1.0 mL 2 wt.percent TPGS/H20 were reacted at ft for 2 h yielding 91.7 mg (94percent) of 4-chloro-3-(trifluoromethyl)aniline as a colorless oil (hexane/ethyl acetate: 80/20). Spectral data matched the literature. GC-MS, mlz:195 [Mj.2) Weigh 450 g of 2-chloro-5-nitrobenzotrifluoride obtained in the previous step and add 7 L of anhydrous methanol to dissolve.Subsequently, 36 g of phosphorous acid and 27 g of a Pt/C catalyst having a Pt content of 8percent were added and stirred to form a material IV.H2 is used as material V to carry out hydrogenation reduction reaction in the reaction module group.As shown in Figure 3, Adjusting the flow rate of the slurry pump so that the flow rate of the material IV is 32.0 g/min, and the flow rate of the regulating gas flow meter H2 is 600 ml/min.The molar ratio of 2-chloro-5-nitrobenzotrifluoride to H2 is 1:3.2, the reaction temperature is 120 ° C, and the temperature of the cooling module is 25 ° C.The residence time of the reaction is 30 s.The reaction pressure is 1.3Mpa, the reaction liquid flowing out from the outlet of the cooling module is collected, the catalyst Pt/C is recovered by filtration, and the filtrate is steamed to a volume of about 1.5 L, 200 ml of concentrated hydrochloric acid is added thereto, and the temperature is lowered to 0 to 5 ° C.Filtration to obtain a needle-like solid, adding the filter cake to 1.2 L of water, adjusting the pH of the system to 8-9 with a mass fraction of 20percent NaOH solution.After adding 750 ml of ethyl acetate, the mixture was extracted twice, and the organic phase was combined, dried over anhydrous Na 2 SO 4 and then evaporated to yield solvent.4-chloro-3-trifluoromethylaniline 357.76 g, yield 91.69percent, purity 99.47percent.10percent Activated Pd-C (118 mg) was added to a solution of nitro compound 4 (1 g, 4.5 mmol) in methanol (20 mL). The flask was evacuated and purged with nitrogen five times, before being placed under an atmosphere of hydrogen. The solution was stirred for 2 h at room temperature. After this time, t.l.c. (petrol: EtOAc 4:1) indicated the formation of a product (Rf 0.5), and complete consumption of starting material (Rf 0.8). The reaction mixture was filtered through Celite® (eluting with methanol, 20 mL), and concentrated in vacuo to give a residue which was purified by flash column chromatography to afford aniline 5a (1.2 g, 68.9percent) as yellow oil. dH (400 MHz, CDCl3) 6.72 (1H, dd, J 8.4 Hz, 2.5 Hz, Ar-H-6), 6.95(1H, d, J 2.7 Hz, Ar-H-5), 7.22 (1H, d, J 8.6 Hz, Ar-H-2).Step 2 Step 2 Step 2 (5) 2-chloro-3-trifluoromethylphenylhydrazine 7 (10 g) obtained in step (4)Methanol (60 ml) and Raney nickel (20 g), a heterogeneous catalyst in the solid phase, were added.The reaction was heated to reflux for 1 hour, cooled and filtered.2-chloro-3-trifluoromethylaniline 8 (8.6 g) was obtained
Used as pharmaceutical and pesticide intermediates
Benzenamine, 4-chloro-3-(trifluoromethyl)-: ACTIVE
Computed Properties
Molecular Weight:195.57
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:195.0062613
Monoisotopic Mass:195.0062613
Topological Polar Surface Area:26
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Chloro-3-(trifluoromethyl)aniline
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