98-16-8 Usage
Description
3-Aminobenzotrifluoride, also known as Benzenamine, 3-(trifluoromethyl)-, is a colorless to yellow oily liquid with an unpleasant amine odor. It is a combustible compound and has a fishlike odor. It is insoluble in water and denser than water. It is toxic by ingestion and inhalation.
Uses
Used in Pharmaceutical Industry:
3-Aminobenzotrifluoride is used as an intermediate in the synthesis of various pharmaceuticals. It is used for its reactivity and versatility in chemical reactions, allowing for the creation of a wide range of drug compounds.
Used in Dye Industry:
3-Aminobenzotrifluoride is used as a chemical intermediate in the production of dyes. Its unique chemical properties make it suitable for use in the synthesis of various types of dyes, contributing to the color and stability of the final product.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
3-Aminobenzotrifluoride is a halogenated amine derivative. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Health Hazard
Contact may cause burns to skin and eyes. May be poisonous if inhaled, swallowed or absorbed through the skin.
Fire Hazard
3-Aminobenzotrifluoride may burn but does not ignite readily. Cylinder may explode in heat of fire. When heated to decomposition, 3-Aminobenzotrifluoride emits very toxic fumes of fluorides and nitrogen oxides.
Safety Profile
Poison by inhalation, ingestion, and intraperitoneal routes. May be moderately toxic by other routes. See also AMINES and FLUORIDES. When heated to decomposition it emits very toxic fumes of Fand NOx,.
Potential Exposure
This material is used as a chemical
intermediate for herbicides, antihypertensives, and diuretics.
Shipping
UN29483-Trifluoromethylaniline, Hazard Class:
6.1; Labels: 6.1—Poisonous materials.
Incompatibilities
Incompatible with oxidizers (chlorates,
nitrates, peroxides, permanganates, perchlorates, chlorine,
bromine, fluorine, etc.); contact may cause fires or explosions.
Keep away from alkaline materials, strong bases,
strong acids, oxoacids, epoxides. Light and air sensitive.
Check Digit Verification of cas no
The CAS Registry Mumber 98-16-8 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 8 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 98-16:
(4*9)+(3*8)+(2*1)+(1*6)=68
68 % 10 = 8
So 98-16-8 is a valid CAS Registry Number.
InChI:InChI=1/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
98-16-8Relevant articles and documents
Unlocking Amides through Selective C–N Bond Cleavage: Allyl Bromide-Mediated Divergent Synthesis of Nitrogen-Containing Functional Groups
Govindan, Karthick,Chen, Nian-Qi,Chuang, Yu-Wei,Lin, Wei-Yu
supporting information, p. 9419 - 9424 (2021/11/30)
We report a new set of reactions based on the unlocking of amides through simple treatment with allyl bromide, creating a common platform for accessing a diverse range of nitrogen-containing functional groups such as primary amides, sulfonamides, primary amines, N-acyl compounds (esters, thioesters, amides), and N-sulfonyl esters. The method has potential industrial applicability, as demonstrated through gram-scale syntheses in batch and in a continuous flow system.
Chemoselective Hydrogenation of Nitroarenes Using an Air-Stable Base-Metal Catalyst
Zubar, Viktoriia,Dewanji, Abhishek,Rueping, Magnus
supporting information, p. 2742 - 2747 (2021/05/05)
The reduction of nitroarenes to anilines as well as azobenzenes to hydrazobenzenes using a single base-metal catalyst is reported. The hydrogenation reactions are performed with an air-and moisture-stable manganese catalyst and proceed under relatively mild reaction conditions. The transformation tolerates a broad range of functional groups, affording aniline derivatives and hydrazobenzenes in high yields. Mechanistic studies suggest that the reaction proceeds via a bifunctional activation involving metal-ligand cooperative catalysis.
Efficient hydrogenation catalyst designing via preferential adsorption sites construction towards active copper
Dai, Xingchao,He, Dongcheng,Li, Teng,Shi, Feng,Wang, Hongli,Wang, Tao,Wang, Xinzhi
, p. 397 - 406 (2021/07/21)
Based on the experimental and DFT calculation results, here for the first time we built preferential adsorption sites for nitroarenes by modification of the supported Cu catalysts surface with 1,10-phenathroline (1,10-phen), by which the yield of aniline via reduction of nitroarene is enhanced three times. Moreover, a macromolecular layer was in-situ generated on supported Cu catalysts to form a stable macromolecule modified supported Cu catalyst, i.e., CuAlOx-M. By applying the CuAlOx-M, a wide variety of nitroarene substrates react smoothly to afford the desired products in up to > 99% yield with > 99% selectivity. The method tolerates a variety of functional groups, including halides, ketone, amide, and C = C bond moieties. The excellent catalytic performance of the CuAlOx-M can be attributed to that the 1,10-phen modification benefits the preferential adsorption of nitrobenzene and slightly weakens adsorption of aniline on the supported nano-Cu surface.