CAS No.320-51-4,4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	320-51-4
Name:	4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine
Article Data:	35

Formula:	C₇H₅ClF₃N
Molecular Weight:	195.572
Synonyms:	m-Toluidine,4-chloro-a,a,a-trifluoro-(6CI,7CI,8CI);(4-Chloro-3-trifluoromethylphenyl)amine;2-Chloro-5-aminobenzotrifluoride;3-(Trifluoromethyl)-4-chloroaniline;3-Amino-6-chlorobenzotrifluoride;4-Chloro-3-(trifluoromethyl)aniline;4-Chloro-3-(trifluoromethyl)benzenamine;4-Chloro-a,a,a-trifluoro-m-toluidine;NSC 61405;
EINECS:	206-277-6
Density:	1.425 g/cm³
Melting Point:	34-38 °C(lit.)
Boiling Point:	242.8 °C at 760 mmHg
Flash Point:	>110 °C
Appearance:	White to pinkish crystalline powder
Hazard Symbols:	Xi, T
Risk Codes:	36/37/38-23/24/25
Safety:	22-24/25-45-36-26
Transport Information:	UN 2811
PSA:	26.02000
LogP:	3.52220

Synthetic route

: 777-37-7
4-chloro-3-(trifluoromethyl)nitrobenzene

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
With sodium tetrahydroborate; TPGS-750-M In tetrahydrofuran; water at 20℃; for 1h; Catalytic behavior; Reagent/catalyst;	98%
With sodium tetrahydroborate In tetrahydrofuran; water at 20℃; for 2h; Inert atmosphere; Green chemistry; chemoselective reaction;	94%
With sodium tetrahydroborate; iron; water at 20℃; for 2h;	94%

: 98-16-8
3-trifluoromethylaniline

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
With copper dichloride; 1-hexyl-3-methylimidazol-1-ium chloride at 40℃; for 8h; regioselective reaction;	94%

: 320-50-3
1,4-dichloro-2-trifluoromethylbenzene

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
With ammonium hydroxide; potassium phosphate; copper(l) iodide; N1,N2-bis(5-methyl-[1,1'-biphenyl]-2-yl)oxalamide In water; dimethyl sulfoxide at 110℃; for 24h; Inert atmosphere;	84%
Multi-step reaction with 2 steps 1: hydrazine hydrate; pyridine / ethyl acetate; dichloromethane / 4 h / 130 °C / Autoclave 2: Raney nickel / methanol / 1 h / Reflux View Scheme

: 445-01-2
5-bromo-2-chlorobenzotrifluoride

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
Stage #1: 5-bromo-2-chlorobenzotrifluoride With magnesium In tetrahydrofuran Inert atmosphere; Stage #2: With C10H17NO In tetrahydrofuran; toluene at -45℃; for 2h; Inert atmosphere; Stage #3: With ammonium chloride In tetrahydrofuran; water; toluene Inert atmosphere;	61%

: 99586-65-9
4-chloropicolinamide

: 123-30-8
4-amino-phenol

A: 284462-80-2
4-(4-aminophenoxy)-2-pyridinecarboxamide

B: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
With potassium tert-butylate; sodium chloride In methanol; hexane; ethyl acetate; N,N-dimethyl-formamide	A 58% B n/a
With potassium tert-butylate; sodium chloride In methanol; hexane; ethyl acetate; N,N-dimethyl-formamide	A 58% B n/a
With potassium tert-butylate; sodium chloride In methanol; hexane; ethyl acetate; N,N-dimethyl-formamide	A 58% B n/a

...Expand

: 1198619-79-2
1-(4-bromophenyl)-3-(4-chloro-3-(trifluoromethyl)phenyl)-5-thioxoimidazolidine-2,4-dione

: 100-46-9
benzylamine

A: 1198619-80-5
3-benzyl-5-(benzylimino)-1-(4-bromophenyl)imidazolidine-2,4-dione

B: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
for 1h; Reflux;	A 51% B n/a

...Expand

: 369-77-7
cloflucarban

A: 106-47-8
4-chloro-aniline

B: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 83℃; for 24h; Irradiation; further reagents, further conditions;

: 88-16-4
1-chloro-2-(trifluoromethyl)benzene

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60 percent / HNO3; H2SO4 / 0.5 h / 50 - 60 °C 2: 65 percent / NaSH*9H2O; NaHCO3 / methanol; H2O / 1 h / Heating View Scheme
Multi-step reaction with 2 steps 1: HNO3, H2SO4 2: H2 / PtO2 View Scheme
Multi-step reaction with 2 steps 1: nitric acid; sulfuric acid / 1 h / Heating 2: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: acetic anhydride; nitric acid / 3 h / 10 - 12 °C 2: iron(III) chloride hexahydrate; hydrazine hydrate / ethanol / 3 h / Reflux View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / water / 18 h / 0 - 20 °C / Inert atmosphere; Schlenk technique 2: iron; ammonium chloride; hydrogenchloride / ethanol; water / 2 h / 80 °C / Inert atmosphere; Schlenk technique View Scheme

: 445-01-2
5-bromo-2-chlorobenzotrifluoride

A: 1445972-32-6
C14H7Cl2F6N

B: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

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 100℃; for 24h; Inert atmosphere; Overall yield = 72 %; Overall yield = 140.9 mg;

: 755037-03-7
regorafenib

A: 757251-39-1
4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic acid methyl amide

B: 320-51-4
4-chloro-3-trifluoromethyl-aniline

Conditions

Conditions	Yield
In water; acetonitrile at 80℃; for 72h;

Raw Materials

369-77-7

100-46-9

445-01-2

777-37-7

88-16-4

98-16-8

99586-65-9

123-30-8

Downstream Products

327-78-6

370-50-3

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Specification

The 5-Amino-2-chlorobenzotrifluoride with CAS registry number of 320-51-4 is also known as 3-(Trifluoromethyl)-4-chloroaniline. The IUPAC name is 4-Chloro-3-(trifluoromethyl)aniline. It belongs to product categories of Amines and Anilines; Aromatic Halides (substituted); Aniline Series. Its EINECS registry number is 206-277-6. In addition, the formula is C₇H₅ClF₃N and the molecular weight is 195.57. Besides, this chemical is a white to pinkish crystalline powder.

Physical properties about 5-Amino-2-chlorobenzotrifluoride are: (1)XLogP3: 3.5; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 4; (4)Exact Mass: 195.006261; (5)MonoIsotopic Mass: 195.006261; (6)Topological Polar Surface Area: 26; (7)Heavy Atom Count: 12; (8)Complexity: 159; (9)Covalently-Bonded Unit Count: 1.

Uses of 5-Amino-2-chlorobenzotrifluoride: it is used as medicine and pesticide intermediate. What's more, it is used to produce 1,3-bis(4-chloro-3-(trifluoromethyl)phenyl)triazene. The reaction occurs with reagent SHNC and solvent H₂O at ambient temperature for 25 hours. The yield is about 99%.

5-Amino-2-chlorobenzotrifluoride is used to produce 1,3-bis(4-chloro-3-(trifluoromethyl)phenyl)triazene.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. Avoid contact with skin and eyes and do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1N)C(F)(F)F)Cl
2. InChI: InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
3. InChIKey: ASPDJZINBYYZRU-UHFFFAOYSA-N