2-Amino-6-chlorobenzotrifluoride
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2-Amino-6-chlorobenzotrifluoride
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CAS No:
432-21-3
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Formula:
C7H5ClF3N
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Chemical Name:
2-Amino-6-chlorobenzotrifluoride
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Synonyms:
2-AMINO-6-CHLOROBENZOTRIFLUORIDE;2-AMINO-6-CHLOROBENZOTRIFLUOROIDE;2-TRIFLUOROMETHYL-3-CHLOROANILINE;3-Chloro-2-(trifluoromethyl)aniline
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CAS No:
2-Amino-6-chlorobenzotrifluoride Use and Manufacturing
3-Chloro-2-trifluoromethyl-phenylamine; To a 5 L multineck flask equipped with a mechanical stirrer, a thermowell, a condenser, a nitrogen inlet line and a dropping funnel was added 1-Chloro-3-nitro-2-trifluoromethyl-benzene (221.27 g, 0.981 mol), ethanol (denatured with 5percent ea. MeOH and i-PrOH; 3.46 L), water (0.87 L), zinc dust (384.71 g, 5.885 mol) and anhydrous calcium chloride (108.88 g, 0.981 mol). After being heated at reflux overnight, GC indicated complete disappearance of the starting material (tR=3.52 min) and formation of the product (tR=3.25 min). The mixture was cooled (30° C.) and filtered through a pad of Celite (200 g). The solids were washed (2.x.500 mL EtOH), and the combined filtrates were concentrated. EtOAc (0.5 L) was added to the residue. The organic layer was washed (water, 2x; brine). The water layers were sequentially reextracted (2.x.0.5 L EtOAc). The organic layers were dried (Na
Computed Properties
Molecular Weight:195.57
XLogP3:2.8
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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2-Amino-6-chlorobenzotrifluoride
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