4-Fluoro-3-(trifluoromethyl)aniline

Base Information

• Chemical Name: 4-Fluoro-3-(trifluoromethyl)aniline
• CAS No.: 2357-47-3
• Molecular Formula: C7H5F4N
• Molecular Weight: 179.117
• Hs Code.: 29214300
• European Community (EC) Number: 219-095-7
• NSC Number: 10326
• UNII: V5584X2CTL
• DSSTox Substance ID: DTXSID1022184
• Nikkaji Number: J149.966A
• Wikidata: Q27291542
• Mol file: 2357-47-3.mol

Synonyms:4-Fluoro-3-(trifluoromethyl)aniline;2357-47-3;5-Amino-2-fluorobenzotrifluoride;4-Fluoro-3-trifluoromethylaniline;Benzenamine, 4-fluoro-3-(trifluoromethyl)-;3-Trifluoromethyl-4-fluoroaniline;alpha,alpha,alpha,4-Tetrafluoro-m-toluidine;4-Fluoro-3-(trifluoromethyl)benzenamine;EINECS 219-095-7;4-Tetrafluoro-m-toluidine;UNII-V5584X2CTL;V5584X2CTL;2-Fluoro-5-aminobenzotrifluoride;3-amino-6-fluorobenzotrifluoride;4-fluoro-3-trifluoromethylphenylamine;NSC-10326;alpha,alpha,alpha-4-Tetrafluoro-m-toluidine;m-Toluidine, .alpha.,.alpha.,.alpha.,4-tetrafluoro-;NSC10326;5-AMINO-2-FLUOROBENZTRIFLUORIDE;SCHEMBL146397;DTXSID1022184;a,a,a-4-tetrafluoro-m-toluidine;PGFQDLOMDIBAPY-UHFFFAOYSA-;4-floro-3-trifloromethyl aniline;a,a,a,4-Tetrafluoro-m-toluidine;2-fluoro-5-amino benzotrifluoride;4-fluoro-3-trifloromethyl aniline;4-fluoro-3-trifluoromethyl aniline;4-fluoro-3-trifluoromethyl-aniline;MFCD00007834;NSC 10326;PC1076;4-fluoro-3-(trifluoromethyl) aniline;4-fluoro-3-(trifluoromethyl)-aniline;AKOS005172622;AC-2636;CS-W020711;PS-8549;4-fluoro-3-(trifluoromethyl)benzeneamine;5-amino-2-fluoro(trifluoromethyl)benzene;4-Fluoro-3-(trifluoromethyl)aniline, 99%;LS-184921;3-TRIFLUOROMETHYL-4-FLUOROPHENYLAMINE;A1164;A4921;AM20030407;FT-0619981;EN300-50846;.alpha.,.alpha.,.alpha.,4-Tetrafluoro-m-toluidine;W-107397;Q27291542;F2190-0479;.ALPHA.,.ALPHA.,.ALPHA.,4-TETRAFLUORO-3-METHYLANILINE

Chemical Property of 4-Fluoro-3-(trifluoromethyl)aniline

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.22mmHg at 25°C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 207.499 °C at 760 mmHg
• PKA: 3.43±0.10(Predicted)
• Flash Point: 93.94 °C
• PSA: 26.02000
• Density: 1.383 g/cm³
• LogP: 3.00790
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 179.03581181
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-3-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,T
• Hazard Codes: Xn,Xi,T
• Statements: 20/21/22-36/37/38-23-21/22
• Safety Statements: 26-36-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)C(F)(F)F)F
• Uses: 4-Fluoro-3-(trifluoromethyl)aniline was used in the synthesis of well-defined rod-coil block copolymers of trifluoromethylated poly(phenylene oxide).

Technology Process of 4-Fluoro-3-(trifluoromethyl)aniline

There total 2 articles about 4-Fluoro-3-(trifluoromethyl)aniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 13.0%

3-trifluoromethylnitrobenzene (98-46-4) → 3-trifluoromethylaniline (98-16-8) + 4-Fluoro-3-trifluoromethylaniline (2357-47-3)

Guidance literature:

With bismuth; hydrogen fluoride; In dichloromethane; Yield given;

DOI:10.1016/0022-1139(95)03257-E

Reference yield:

2-Fluoro-5-nitrobenzotrifluoride (400-74-8) → 4-Fluoro-3-trifluoromethylaniline (2357-47-3)

Guidance literature:

With iron; ammonium chloride;

DOI:10.1021/jm00334a041

Reference yield: 100.0%

4-methoxy-benzaldehyde (123-11-5) + 4-Fluoro-3-trifluoromethylaniline (2357-47-3) → C15H13F4NO (953428-91-6)

Guidance literature:

With thiophene; hydrogen; palladium 10% on activated carbon; In methanol; di-isopropyl ether;

upstream raw materials:

2-Fluoro-5-nitrobenzotrifluoride

3-trifluoromethylnitrobenzene

Downstream raw materials:

N-<4-Fluor-3-trifluormethyl-phenyl>-carbamidsaeure-ethylester

1,3-bis[4-fluoro-3-(trifluoromethyl)phenyl]urea

N-<4-Fluor-3-trifluormethyl-phenyl>-carbamidsaeureisopropylester

4-fluoro-3-(trifluoromethyl)acetanilide

Refernces

• 1、 Takano, Yasuo,Shiga, Futoshi,Asano, Jun,Hori, Wataru,Anraku, Tsuyosi,Uno, Takashi. "Synthesis and AMPA receptor antagonistic activity of a novel 7-imidazolyl-6-trifluoromethyl quinoxalinecarboxylic acid with a substituted phenyl group and improved its good physicochemical properties by introduced CF3 group". . p. 5107 - 5111. Retrieved 2007/10/03.
• 2、 Ohmori,Sakamoto,Kubota,Shimizu-Sasamata,Okada,Kawasaki,Hidaka,Togami,Furuya,Murase. "6-(1H-imidazol-1-yl)-7-nitro-2,3 (1H,4H)-quinoxalinedione hydrochloride (YM90K) and related compounds: Structure-activity relationships for the AMPA- type non-NMDA receptor". . p. 467 - 475. Retrieved 2007/10/02.