4-Bromo-2-(trifluoromethoxy)aniline Chemical Properties

Boiling point:

98-100 °C/15 mmHg (lit.)

Density 

1.691 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.5130(lit.)

Flash point:

>230 °F

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

1.75±0.10(Predicted)

Appearance

Colorless to off-white <26°C Solid,>27°C Liquid

InChI

InChI=1S/C7H5BrF3NO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H,12H2

InChIKey

QVILSWLYJYMGRN-UHFFFAOYSA-N

SMILES

C1(N)=CC=C(Br)C=C1OC(F)(F)F

CAS DataBase Reference

175278-09-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

T,Xi

Risk Statements 

25-43-52/53-36/37/38

Safety Statements 

36/37-45-37/39-26

RIDADR 

UN 2810 6.1/PG 3

WGK Germany 

2

Hazard Note 

Toxic

HazardClass 

IRRITANT

HazardClass 

6.1

PackingGroup 

Ⅲ

HS Code 

29222990

MSDS

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4-Bromo-2-(trifluoromethoxy)aniline Usage And Synthesis

Chemical Properties

clear pale yellow to orange-yellow liquid

Uses

4-Bromo-2-(trifluoromethoxy)aniline is a versatile building block that can be used to create a range of compounds, such as methyl 4- amino-3-(trifluoromethoxy)benzoate, 1-Bromo-3-(trifluoromethoxy)benzene, etc.
To a solution of 4-bromo-2-(trifluoromethoxy)aniline (10 g, 50.21 mmol) in methanol (150 mL) in a pressure tank reactor was added TEA (11.84 g, 117.01 mmol), Pd(dppf)Ci2 CH2Q2 (2.4 g, 2.94 mmol). Then the reactor was charged with CO (g) (20 atm). The resulting reaction was stirred for 1.5 days at 100°C. Then it was diluted with water (200 mL), extracted with ethyl acetate (3 x 100 mL) and the organic layers combined and dried in an oven under reduced pressure. The resulting mixture was concentrated in a vacuo. The residue was purified by silica gel column chromatography with ethyl acetate/petroleum ether (1:50) to afford methyl 4- amino-3-(trifluoromethoxy)benzoate as yellow solid (5 g, 54 %).

4-Bromo-2-(trifluoromethoxy)aniline(175278-09-8)Related Product Information

• ANILINE BLACK
• 4-Fluoroaniline
• 3-(Trifluoromethoxy)aniline
• 2-(Trifluoromethoxy)aniline
• Aniline
• (Trifluoromethoxy)benzene
• 2-Aminobenzotrifluoride
• o-Anisidine
• 4-(Trifluoromethoxy)aniline
• 3-Aminobenzotrifluoride
• p-Anisidine
• 4-Bromoaniline
• 2-Bromoaniline
• 4-Aminobenzotrifluoride
• Azoic Diazo Component 1
• Bromine
• 4-BROMO-2-(TRIFLUOROMETHOXY)ACETANILIDE
• 4-BROMO-2-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE