402-54-0 Usage
Description
4-Nitrobenzotrifluoride is a colorless to light yellow liquid with a fishlike odor. It is a toxic chemical compound that can be harmful if ingested, inhaled, or absorbed through the skin. It is insoluble in water and has a density greater than water. 4-Nitrobenzotrifluoride is primarily used as an intermediate in the synthesis of various chemicals.
Uses
Used in Chemical Synthesis:
4-Nitrobenzotrifluoride is used as a chemical intermediate for the production of other chemicals. Its unique structure and reactivity make it a valuable building block in the synthesis of a wide range of compounds, including pharmaceuticals, agrochemicals, and specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Nitrobenzotrifluoride is used as a key intermediate in the synthesis of various drug molecules. Its presence in the molecular structure can impart specific biological activities, making it an essential component in the development of new medications.
Used in Agrochemical Industry:
4-Nitrobenzotrifluoride is also utilized in the agrochemical industry for the production of pesticides and other crop protection agents. Its incorporation into these compounds can enhance their effectiveness in controlling pests and diseases, ultimately contributing to increased crop yields and food security.
Used in Specialty Chemicals:
In the specialty chemicals sector, 4-Nitrobenzotrifluoride is employed in the development of high-performance materials with unique properties. These materials can be used in various applications, such as in the electronics, automotive, and aerospace industries, where their specific characteristics are highly valued.
Synthesis Reference(s)
Synthesis, p. 932, 1980 DOI: 10.1055/s-1980-29276Tetrahedron Letters, 32, p. 91, 1991 DOI: 10.1016/S0040-4039(00)71226-3
Air & Water Reactions
Insoluble in water.
Health Hazard
Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
Fire Hazard
Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.
Check Digit Verification of cas no
The CAS Registry Mumber 402-54-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 2 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 402-54:
(5*4)+(4*0)+(3*2)+(2*5)+(1*4)=40
40 % 10 = 0
So 402-54-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H5Cl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H
402-54-0Relevant articles and documents
Aromatic trifluoromethylation catalytic in copper
Oishi, Masahiro,Kondo, Hideaki,Amii, Hideki
, p. 1909 - 1911 (2009)
Cu(i)-diamine complexes were found to catalyse the trifluoromethylation of aryl iodides. In the presence of a small amount of CuX (X = Cl, Br, I) and 1,10-phenanthroline (phen), the cross-coupling reactions of iodoarenes with trifluoromethylsilanes proceeded smoothly to afford trifluoromethylated aromatics in good yields.
NOVEL METHOD FOR PRODUCING PERFLUOROALKYLATING AGENTS USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL, AND METHOD FOR PRODUCING AROMATIC PERFLUOROALKYL COMPOUNDS USING THE SAME
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Paragraph 0132-0134, (2021/04/02)
To provide a simple method for producing silylated trifluoromethylcarbinol from trifluoromethane.SOLUTION: There is provided a method for producing a compound represented by the formula [1], in which the compound is obtained by reacting a monohydroperfluoroalkane, a carbonyl compound, and NaH in an organic solvent and then reacting the reaction solution with a silylating agent. [In the formula, RF is an alkyl group such as a linear chain of C1 to 2, and a perfluoroalkyl group in which all H on C is substituted with F; R1 and R2 are independently alkyl groups such as a linear chain of H or C1 to 2, or the like respectively; R1 and R2 may be integrated to form a ring; and R3, R4 and R5 are independently H or C1 to 2 linear alkyl groups, or the like respectively.]SELECTED DRAWING: None
NOVEL METHOD FOR PRODUCING PERFLUOROALKYLATING AGENTS USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL, AND METHOD FOR PRODUCING AROMATIC PERFLUOROALKYL COMPOUND USING THE SAME
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Paragraph 0132-0134, (2021/04/09)
PROBLEM TO BE SOLVED: To provide a method for producing an aromatic perfluoroalkyl compound using silylated trifluoromethyl carbinol. SOLUTION: There is provided a method for producing an aromatic perfluoroalkyl compound represented by the general formula [10], in which a compound represented by the formula [9] and a compound represented by the formula [1] are reacted in an organic solvent in the presence of a copper catalyst, a nitrogen ligand and a metal fluoride. R7-X...[9], RF-R7...[10] [In the formula, R7 is an aryl group or the like which may have a substituent; X is F, Cl, Br or I; RF is an alkyl group such as a linear chain of C1-2, and a perfluoroalkyl group in which all H on C is substituted with F; R1 and R2 are each independently H or a C1-2 linear alkyl group, or the like; R1 and R2 may be integrated to form a ring; and R3, R4 and R5 are each independently H or a C1-2 linear alkyl group, or the like.] SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT
