Products Categories
CAS No.: | 98-16-8 |
---|---|
Name: | 3-Aminobenzotrifluoride |
Article Data: | 96 |
Molecular Structure: | |
Formula: | C7H6F3N |
Molecular Weight: | 161.127 |
Synonyms: | 3-(Trifluoromethyl) aniline;Benzenamine, 3- (trifluoromethyl)-;1/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H;1-Amino-3-(trifluoromethyl)benzene;m-Amino-alpha,alpha,alpha-trifluorotoluene;3-(Trifluoromethyl)benzenamine;4-12-00-01843 (Beilstein Handbook Reference);Toluene, 3-amino-alpha,alpha,alpha-trifluoro-;2-propylpiperidine HCl;m-Chlorotrifluoromethylbenzene;Toluene, 3-amino-.alpha.,.alpha.,.alpha.-trifluoro-,;m-(Trifluoromethyl)aniline;m-Aminobenzal fluoride;alpha,alpha,alpha-Trifluoro-m-toluidine; |
EINECS: | 202-643-4 |
Density: | 1.286 g/cm3 |
Melting Point: | 5 °C |
Boiling Point: | 187 °C at 760 mmHg |
Flash Point: | 85 °C |
Solubility: | 5 g/L (20 ºC) |
Appearance: | Clear light yellow liquid |
Hazard Symbols: | Xi,T,T+,Xn |
Risk Codes: | 36/37/38-33-23-21/22-26-24-22-20/21/22 |
Safety: | 26-36-45-36/37/39-28A |
Transport Information: | UN 2948 6.1/PG 2 |
PSA: | 26.02000 |
LogP: | 2.86880 |
Conditions | Yield |
---|---|
With hydrogenchloride; ammonium chloride; zinc In ethanol at 15 - 20℃; for 0.166667h; Irradiation; | 100% |
With hydrogen; nickel In methanol at 100 - 115℃; under 18751.9 - 30003 Torr; for 6h; Large scale; | 99.9% |
With hydrazine hydrate In ethanol for 2.5h; Reflux; | 98.4% |
Conditions | Yield |
---|---|
With copper(I) oxide; ammonium hydroxide; C17H14N2O3; potassium hydroxide In ethanol at 60℃; for 24h; Schlenk technique; Inert atmosphere; | 96% |
With ammonium hydroxide; caesium carbonate In water for 1.5h; Reflux; Green chemistry; | 90% |
With ammonium hydroxide; caesium carbonate In acetonitrile for 2h; Reflux; Green chemistry; | 90% |
With ammonium hydroxide; potassium phosphate; copper(II) ferrite at 100℃; for 12h; Sealed tube; chemoselective reaction; | 60% |
Conditions | Yield |
---|---|
With ammonium hydroxide; L-2-O-methyl-chiro-inositol; copper(II) acetate monohydrate In 1-methyl-pyrrolidin-2-one at 110℃; for 12h; | 95% |
With ammonium hydroxide; copper(l) iodide; potassium carbonate; 4R-4-hydroxyproline In dimethyl sulfoxide at 50℃; for 24h; | 90% |
3-(trifluoromethyl)phenyl trifluoromethanesulfonate
3-trifluoromethylaniline
Conditions | Yield |
---|---|
Stage #1: 3-(trifluoromethyl)phenyl trifluoromethanesulfonate With bis(bis(trimethylsilyl)amido)zinc(II); tri-tert-butyl phosphine; tetrabutylammomium bromide; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 50℃; for 6h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether | 91% |
Conditions | Yield |
---|---|
With potassium carbonate; ammonium hydroxide In methanol at 60℃; for 21h; | 84% |
With N-Bromosuccinimide; CYANAMID; bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃; for 1h; chemoselective reaction; | 71% |
With N-Bromosuccinimide; N-methoxylamine hydrochloride; bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃; | 66% |
Conditions | Yield |
---|---|
With dicyclohexyl(2',4',6'-triisopropyl-5-methoxy-3,4,6-trimethyl-[1,1'-biphenyl]-2-yl)phosphine; C50H70NO4PPdS; C50H70NO4PPdS; dicyclohexyl(2',4',6'-triisopropyl-4-methoxy-3,5,6-trimethyl-[1,1'-biphenyl]-2-yl)phosphine; ammonia; sodium t-butanolate In 1,4-dioxane at 80℃; for 24h; Inert atmosphere; | 81% |
Conditions | Yield |
---|---|
With ammonium bifluoride; aHF In dichloromethane 1.) 68-95 degC, 90-160 psig, 2.) 68-101 degC, 90-118 psig, 3.) 103-117 degC, 190-220 psig; | 75% |
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol | 71% |
3-methyl-2,4-diphenyloxazolium-5-olate
4-[5-Methylene-3-(3-trifluoromethyl-phenyl)-4,5-dihydro-3H-[1,2,3]triazol-4-yl]-morpholine
A
N-benzoyl-N-methylphenylglycine morpholide
B
3-trifluoromethylaniline
Conditions | Yield |
---|---|
In acetonitrile for 0.5h; Ambient temperature; Further byproducts given; | A n/a B n/a C 65% D 10% |
Conditions | Yield |
---|---|
Stage #1: 3-Trifluoromethylphenol With Nonafluorobutanesulfonyl fluoride; tris(trimethylsilyl)amine; potassium hexamethylsilazane In tetrahydrofuran at 60℃; for 5h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride In water at 20℃; for 0.0833333h; pH=3 - 4; | 57% |
Multi-step reaction with 2 steps 1.1: 86 percent / K3PO4 / toluene; H2O / 0 - 20 °C 2.1: P(t-Bu)3; Zn[N(SiMe3)2]2; Bu4NBr / Pd(dba)2 / tetrahydrofuran / 6 h / 50 °C 2.2: 91 percent / aq. HCl / tetrahydrofuran; diethyl ether View Scheme |
What can I do for you?
Get Best Price
1. | orl-rat LD50:480 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow.: USSR, Centre of International Projects, GKNT,1982,20. | ||
2. | unr-rat LD50:480 g/kg | TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 14 (1975),118. | ||
3. | orl-rbt LD50:615 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow.: USSR, Centre of International Projects, GKNT,1982,20. | ||
4. | unk-rat LD50:480 mg/kg | TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 14 (1975),118. | ||
5. | ihl-rat LC50:440 mg/m3/4H | TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 10 (1968),131. | ||
6. | orl-mus LD50:220 mg/kg | TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 10 (1968),131. | ||
7. | ihl-mus LC50:690 mg/m3/2H | TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 10 (1968),131. | ||
8. | ipr-mus LD50:50 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |