CAS No.455-14-1,4-Aminobenzotrifluoride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	455-14-1
Name:	4-Aminobenzotrifluoride
Article Data:	154

Formula:	C₇H₆F₃N
Molecular Weight:	161.127
Synonyms:	p-Toluidine,a,a,a-trifluoro-(6CI,7CI,8CI);(4-(Trifluoromethyl)phenyl)amine;1-Amino-4-(trifluoromethyl)benzene;4-(Trifluoromethyl)aniline;4-(Trifluoromethyl)benzenamine;4-Amino-a,a,a-benzotrifluoride;NSC 10337;p-(Trifluoromethyl)aniline;p-Amino-a,a,a-trifluorotoluene;p-Aminobenzotrifluoride;p-Trifluoromethylphenylamine;a,a,a-Trifluoro-p-toluidine;4-Aminotrifluorotoluene;
EINECS:	207-236-5
Density:	1.286 g/cm³
Melting Point:	3-8 °C
Boiling Point:	190 °C at 760 mmHg
Flash Point:	86.7 °C
Solubility:	<0.1 g/100 mL in water
Appearance:	clear colorless to yellow liquid
Hazard Symbols:	T, N, Xi, Xn
Risk Codes:	25-36-50/53-36/37/38-33-20/21/22
Safety:	26-45-60-61-36/37/39-36
Transport Information:	UN 2810 6.1/PG 3
PSA:	26.02000
LogP:	2.86880

Synthetic route

: 402-54-0
p-nitrobenzotrifluoride

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
With Zr12(μ3-O)5[(μ3-O)CoCl]8[(μ2-O)2(μ3-O)CoCl]3Li3(triphenyldicarboxylate)9; hydrogen; sodium triethylborohydride In toluene at 110℃; under 30003 Torr; for 42h; Catalytic behavior; Inert atmosphere; Schlenk technique;	100%
With hydrazine hydrate In ethanol at 40℃; for 0.5h;	99%
With LaCu0.67Si1.33; hydrogen In isopropyl alcohol at 120℃; under 22502.3 Torr; for 54h; Autoclave;	99%

: 368-90-1
4-(trifluoromethyl)phenylhydrazine

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
nickel In methanol for 1h; Heating / reflux;	100%
With hydrogen; nickel In methanol at 20℃; under 3750.38 Torr; for 2h;	75%

: 402-43-7
p-trifluoromethylphenyl bromide

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
With C24H32N2*ClCu; ammonia; potassium carbonate In 1-methyl-pyrrolidin-2-one; methanol at 90℃; under 5171.62 Torr; for 24h; Inert atmosphere;	95%
With ammonium hydroxide; copper(l) iodide; potassium carbonate; 4R-4-hydroxyproline In dimethyl sulfoxide at 50℃; for 24h;	91%
Stage #1: p-trifluoromethylphenyl bromide With bis(bis(trimethylsilyl)amido)zinc(II); tri-tert-butyl phosphine; lithium chloride; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 50℃; for 4h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether	90%

: 455-13-0
4-Iodobenzotrifluoride

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
With ammonium hydroxide; caesium carbonate In water for 1h; Reflux; Green chemistry;	92%
With ammonium hydroxide; caesium carbonate In water for 1h; Catalytic behavior; Reflux;	92%
With ammonium hydroxide; caesium carbonate In acetonitrile for 1h; Reflux; Green chemistry;	91%

: 5586-13-0
1-azido-4-(trifluoromethyl)benzene

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
With water for 5h; Inert atmosphere; UV-irradiation; Sealed tube; chemoselective reaction;	92%
With C36H44CuN8(1+)*BF4(1-) In water; toluene at 100℃; for 20h; Sealed tube; chemoselective reaction;	64%
With sodium tetrahydroborate In methanol; water at 20℃; for 0.333333h; Green chemistry;	> 99 %Chromat.
With sodium tetrahydroborate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In methanol; water at 20℃; for 0.166667h;
With sodium tetrahydroborate In water at 20℃; for 0.416667h; Green chemistry;	> 99 %Chromat.

: 98-56-6
4-chlorobenzotrifluoride

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
Stage #1: 4-chlorobenzotrifluoride With bis(bis(trimethylsilyl)amido)zinc(II); tri-tert-butyl phosphine; lithium chloride; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 90℃; for 18h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether	88%
With ammonium hydroxide; potassium phosphate In dimethyl sulfoxide at 80℃; UV-irradiation;	86%
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; ammonia; sodium t-butanolate In 1,4-dioxane at 110℃; Buchwald-Hartwig Coupling; Inert atmosphere; Glovebox;	62%

: 75092-01-2
4-trifluoromethylcyclohexanone oxime

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
With Pd(OH)x/LDH In N,N-dimethyl acetamide at 150℃; for 1h; Schlenk technique; Inert atmosphere;	85%

: 349-97-3
4-(trifluromethyl)acetanilide

A: 455-14-1
4-trifluoromethylphenylamine

B: (4-trifluoromethylphenyl)ethylamine

Conditions

Conditions	Yield
With [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); formic acid; bis(trifluoromethanesulfonyl)amide; triethylamine; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In dibutyl ether at 130℃; for 24h;	A 79% B n/a

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
With O-(2,4-dinitrophenyl)hydroxylamine In toluene at 80℃; for 96h; Inert atmosphere;	78%
With copper(I) oxide; ammonium hydroxide; oxygen; sodium hydroxide In water at 25℃; for 24h;	70%
With sodium hydroxide; hydroxylamine-O-sulfonic acid In acetonitrile at 20℃; for 5h; Reflux;	57%

: 120120-28-7
4-(triethylsiloxy)-4-(trifluoromethyl)-2,5-cyclohexadien-1-one

: 455-14-1
4-trifluoromethylphenylamine

Conditions

Conditions	Yield
With glycine ethyl ester hydrochloride; sodium hydrogencarbonate In ethanol for 6h; Heating;	73%

Raw Materials

402-54-0

402-43-7

Downstream Products

402-45-9

777-12-8

339-42-4

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Chemistry

Product Name: 4-Aminobenzotrifluoride
Synonyms: TIMTEC-BB SBB003956;P-(TRIFLUOROMETHYL)ANILINE;P-AMINOBENZOTRIFLUORIDE;1-AMINO-4-(TRIFLUOROMETHYL)BENZENE;4-(TRIFLUOROMETHYL)ANILINE;4-AMINOBENZOTRIFLUORIDE;4-AMINO-A,A,A-TRIFLUOROTOLUENE;A,A,A-TRIFLUORO-P-TOLUIDINE
Molecular formula: C₇H₆F₃N
Molar mass: 161.12
EINECS: 207-236-5
Melting point:3-8 °C
Boiling point :83 °C12 mm Hg(lit.)
density:1.283 g/mL at 25 °C(lit.)
refractive index:n20/D 1.483(lit.)
Fp :188 °F
Water Solubility:<0.1 g/100 mL

Uses

p-TRIFLUOROMETHYLANILINE is a kind of intermediates in medicine, dyestuff, pesticide aspect.

Toxicity Data With Reference

1.	mmo-sat 10 mg/L	ENMUDM Environmental Mutagenesis. 5 (1983),803.
2.	mmo-esc 10 mg/L	ENMUDM Environmental Mutagenesis. 5 (1983),803.
3.	ipr-mus LD50:101 mg/kg	JMCMAR Journal of Medicinal Chemistry. 17 (1974),900.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of F⁻ and NO_x. See also FLUORIDES.
Hazard Codes: T, N, Xi, Xn
Hazard Note: Toxic/Irritant
The Risk Statements information of p-TRIFLUOROMETHYLANILINE:
25: Toxic if swallowed
33: Danger of cumulative effects
36: Irritating to the eyes
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
The Safety Statements information of p-TRIFLUOROMETHYLANILINE:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: XU9260000