4-(Trifluoromethoxy)aniline
- Product Name
- 4-(Trifluoromethoxy)aniline
- CAS No.
- 461-82-5
- Chemical Name
- 4-(Trifluoromethoxy)aniline
- Synonyms
- Riluzole Related CoMpound A;AKOS B016000;4-(TrifluoroMe;Riluzole USP RC A;TIMTEC-BB SBB001667;Riluzole Impurity 10;Trifluoromethoxyaniline;4-Trifluoroethoxyaniline;4-trifluoromethoxyaniune;4-(Trifluormethoxy)anilin
- CBNumber
- CB3322028
- Molecular Formula
- C7H6F3NO
- Formula Weight
- 177.12
- MOL File
- 461-82-5.mol
4-(Trifluoromethoxy)aniline Property
- Boiling point:
- 73-75 °C10 mm Hg(lit.)
- Density
- 1.32 g/mL at 20 °C(lit.)
- refractive index
- n20/D 1.463(lit.)
- Flash point:
- 177 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 3.75±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to yellow
- Specific Gravity
- 1.310
- BRN
- 2090209
- Stability:
- Hygroscopic
- InChI
- InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
- InChIKey
- XUJFOSLZQITUOI-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(OC(F)(F)F)C=C1
- CAS DataBase Reference
- 461-82-5(CAS DataBase Reference)
Safety
- Hazard Codes
- T,Xi,Xn
- Risk Statements
- 24/25-33-38-41-36/37/38-20/21/22
- Safety Statements
- 26-36/37/39-45-36
- RIDADR
- UN 2941 6.1/PG 3
- WGK Germany
- 2
- Hazard Note
- Toxic
- HazardClass
- IRRITANT, TOXIC
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29222900
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H301Toxic if swalloed
H310Fatal in contact with skin
H315Causes skin irritation
H318Causes serious eye damage
H373May cause damage to organs through prolonged or repeated exposure
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- 337056
- Product name
- 4-(Trifluoromethoxy)aniline
- Purity
- 98%
- Packaging
- 5g
- Price
- $48.2
- Updated
- 2025/07/31
- Product number
- PHR3132
- Product name
- Riluzole Related Compound A
- Purity
- pharmaceutical secondary standard, certified reference material
- Packaging
- 50MG
- Price
- $549
- Updated
- 2025/07/31
- Product number
- 1604348
- Product name
- Riluzole Related Compound A
- Purity
- United States Pharmacopeia (USP) Reference Standard
- Packaging
- 25mg
- Price
- $1200
- Updated
- 2025/07/31
- Product number
- T1345
- Product name
- 4-(Trifluoromethoxy)aniline
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $20
- Updated
- 2025/07/31
- Product number
- T1345
- Product name
- 4-(Trifluoromethoxy)aniline
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $55
- Updated
- 2025/07/31
4-(Trifluoromethoxy)aniline Chemical Properties,Usage,Production
Chemical Properties
CLEAR YELLOW LIQUID
Uses
4-(Trifluoromethoxy)aniline was used in the synthesis of:
- side-group liquid-crystalline polymethacrylates with fluorine-containing mesogens
- derivatives of 3-(quinolin-3-yl)acrylates
- series of novel Shiff bases, via condensation with pyridinecarboxaldehydes in the presence of molecular sieves
Uses
4-(Trifluoromethoxy)aniline is used in the synthesis of anticancer agents and antitumor medicaments. Also, its an intermediate in the production of labelled Riluzole, a neuroprotective agent. Modulates glutamatergic transmission. A glutamate release inhibitor. An anticonvulsant.
Synthesis
407-14-7
461-82-5
General procedure: To a flame-dried 25 mL round-bottom flask were added activated magnesium chips (7.5 mmol, 1.5 eq.) and 5 mL of anhydrous tetrahydrofuran (THF). Two drops of 1,2-dibromoethane were added to the suspension to initiate the reaction. 5 min later, a solution of p-bromotrifluoromethoxybenzene (5 mmol, 1.0 eq.) dissolved in 5 mL of anhydrous THF was slowly added to the magnesium suspension at room temperature. A mild exothermic phenomenon was observed during the reaction. After determining the concentration of Grignard's reagent by titration, 1 mmol of the reagent was transferred to another flame-dried reaction flask. The solution was diluted with 3 mL of anhydrous toluene and after cooling to the preset temperature T, a solution of oxazepane (1.2 mmol, 1.2 equiv) dissolved in 1 mL of anhydrous toluene was added. The reaction mixture was held at temperature T for a reaction time t, followed by quenching the reaction with saturated aqueous ammonium chloride (NH4Cl). (Specific reaction temperatures and reaction times need to be listed according to the actual conditions of each substrate.)
References
[1] Organic Letters, 2013, vol. 15, # 14, p. 3734 - 3737
[2] Nature Chemistry, 2017, vol. 9, # 7, p. 681 - 688
[3] Patent: US2018/57444, 2018, A1. Location in patent: Paragraph 0098; 0134; 0135; 0171
4-(Trifluoromethoxy)aniline Preparation Products And Raw materials
Raw materials
Preparation Products
4-(Trifluoromethoxy)aniline Suppliers
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View Lastest Price from 4-(Trifluoromethoxy)aniline manufacturers
- Product
- 4-(Trifluoromethoxy)aniline 461-82-5
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-08
- Product
- 4-(Trifluoromethoxy)aniline 461-82-5
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-10-30
- Product
- 4-(Trifluoromethoxy)aniline 461-82-5
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-08