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Cas Database

Name	2-(Trifluoromethoxy)aniline	EINECS	216-257-9
CAS No.	1535-75-7	Density	1.301 g/cm³
PSA	35.25000	LogP	2.74860
Solubility	N/A	Melting Point	N/A
Formula	C₇H₆F₃NO	Boiling Point	170.2 °C at 760 mmHg
Molecular Weight	177.126	Flash Point	56.7 °C
Transport Information	UN 1993	Appearance	clear, very faintly yellow liquid
Safety	36/37/39-26-45-16	Risk Codes	36/37/38-20/21/22-10
Molecular Structure		Hazard Symbols	Xn,T,Xi
Synonyms	o-Anisidine,a,a,a-trifluoro- (6CI,7CI,8CI);2-(Trifluoromethoxy)benzenamine;2-Trifluoromethoxyaniline;o-(Trifluoromethoxy)aniline;	Article Data	5

2-(Trifluoromethoxy)aniline Synthetic route

: 64115-88-4
1-bromo-2-(trifluoromethoxy)benzene

: 1535-75-7
2-trifluoromethoxy aniline

Conditions

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;	82%

: 461-81-4
1-chloro-4-(trifluoromethoxy)benzene

A: 1535-75-7
2-trifluoromethoxy aniline

B: 1535-73-5
m-trifluoromethoxyaniline

Conditions

Conditions	Yield
Stage #1: 1-chloro-4-(trifluoromethoxy)benzene With sulfuric acid; nitric acid at 0 - 45℃; Stage #2: With palladium on activated charcoal; hydrogen; triethylamine In methanol at 80℃; under 15001.5 Torr; Temperature; Pressure; Autoclave; Overall yield = 98 percent; Overall yield = 177.12 g;

: 1535-75-7
2-trifluoromethoxy aniline

: 103008-51-1
2-(trifluoromethoxy)benzenesulfonyl chloride

: 37526-59-3
2-trifluoromethoxy-benzenesulphonic acid amide

Conditions

Conditions	Yield
	99.4%

: 24424-99-5
di-tert-butyl dicarbonate

: 1535-75-7
2-trifluoromethoxy aniline

: 561304-39-0
tert-butyl N-[2-(trifluoromethoxy)phenyl]carbamate

Conditions

Conditions	Yield
In toluene at 100℃; for 2h;	98%
In toluene Heating;	76%

: 1535-75-7
2-trifluoromethoxy aniline

: 141-97-9
ethyl acetoacetate

: 1620683-57-9
3-oxo-2-(2-(2-(trifluoromethoxy)phenyl)hydrazono)butanoic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: 2-trifluoromethoxy aniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: ethyl acetoacetate With sodium acetate In ethanol; water at 0℃;	92.3%
Stage #1: 2-trifluoromethoxy aniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.0833333h; Stage #2: ethyl acetoacetate With ammonium acetate In ethanol; water
Stage #1: 2-trifluoromethoxy aniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.0833333h; Stage #2: ethyl acetoacetate With ammonium acetate In ethanol; water at 0℃; for 0.5h;

: 1535-75-7
2-trifluoromethoxy aniline

: 805237-13-2
t-butyl 2-diazopropanoate

: (-)-tert-butyl 2-((2-(trifluoromethoxy)phenyl)amino)propanoate

Conditions

Conditions	Yield
With C32H30N4O4; copper(l) chloride In dichloromethane at 0℃; for 18h; Inert atmosphere; Molecular sieve; optical yield given as %ee; enantioselective reaction;	92%

: 1535-75-7
2-trifluoromethoxy aniline

: 141-53-7
sodium formate

: N-(2-(trifluoromethoxy)phenyl)formamide

Conditions

Conditions	Yield
With formic acid for 12h; Reflux;	90.56%

: 1535-75-7
2-trifluoromethoxy aniline

: 609-15-4
ethyl 2-chloro-3-oxo-butyrate

: ethyl 2-chloro-2-(2-(2-(trifluoromethoxy)phenyl)hydrazono)acetate

Conditions

Conditions	Yield
Stage #1: 2-trifluoromethoxy aniline With hydrogenchloride; sodium nitrite In ethanol; water at 0 - 5℃; for 0.5h; Stage #2: ethyl 2-chloro-3-oxo-butyrate With sodium acetate In ethanol; water at 0 - 25℃;	90%

: tin(II)chloride dihydrate

: 1535-75-7
2-trifluoromethoxy aniline

: [2-(trifluoromethoxy)phenyl]hydrazine hydrochloride

Conditions

Conditions	Yield
With sodium nitrite In hydrogenchloride; water	88%

: 552-16-9
ortho-nitrobenzoic acid

: 1535-75-7
2-trifluoromethoxy aniline

: 939920-68-0
2-nitro-N-(2-(trifluoromethoxy)phenyl)benzamide

Conditions

Conditions	Yield
Stage #1: ortho-nitrobenzoic acid With thionyl chloride In N,N-dimethyl-formamide; benzene Reflux; Stage #2: 2-trifluoromethoxy aniline With triethylamine In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃;	88%

2-(Trifluoromethoxy)aniline Chemical Properties

Synonyms: 2-(TRIFLUOROMETHOXY)ANILINE;2-TRIFLUOROMETHOXY-PHENYLAMINE;ALPHA,ALPHA,ALPHA-TRIFLUORO-O-ANISIDINE;O-(TRIFLUOROMETHOXY)ANILINE;TIMTEC-BB SBB006602;2-(Trifluoromethoxy)ANILINE o-(Trifluoromethoxy)ANILINE;O-Aminotrifluorome;2-Aminotrifluoromethoxybenzene
MF: C₇H₆F₃NO
MW: 177.12
EINECS: 216-257-9
BP: 61-63 °C (15 mmHg)
Density : 1,301 g/cm³
Refractive Index : 1.4614-1.4634
FP : 54°C
BRN : 2803814
CAS DataBase Reference : 1535-75-7
NIST Chemistry Reference : 1535-75-7
Structural Formula:

2-(Trifluoromethoxy)aniline Toxicity Data With Reference

Hazard Codes :

Xn,

Xi
Risk Statements :
R36/37/38: Irritating to eyes, respiratory system and skin
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
R10: Flammable

2-(Trifluoromethoxy)aniline Safety Profile

Safety Statements :
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of WATER and seek medical advice
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
S16: Keep away from sources of ignition - No smoking
S36: Wear suitable protective clothing

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