426-59-5

Basic information

• Product Name: 3-(TRIFLUOROMETHYLSULFONYL)ANILINE
• Synonyms: (3-AMINOPHENYL)TRIFLUOROMETHYL SULFONE;3-AMINOPHENYL TRIFLUOROMETHYL SULPHONE;3-TRIFLUOROMETHANESULFONYL-PHENYLAMINE;3-(TRIFLUOROMETHYLSULFONYL)ANILINE;3-(Trifluoromethylsulphonyl)aniline;3-Aminophenyl trifluoromethyl sulphone 98%;3-Aminophenyltrifluoromethylsulphone98%;BENZENAMINE,3-[(TRIFLUOROMETHYL)SULFONYL]
• CAS NO: 426-59-5
• Molecular Formula: C₇H₆F₃NO₂S
• Molecular Weight: 225.19
• Mol File: 426-59-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 78-79 °C
• Boiling Point: 333.6 °C at 760 mmHg
• Flash Point: 155.6 °C
• Appearance: /
• Density: 1.502 g/cm³
• Vapor Pressure: 0.000135mmHg at 25°C
• Refractive Index: 1.501
• PKA: 2.09±0.10(Predicted)
• CAS DataBase Reference: 3-(TRIFLUOROMETHYLSULFONYL)ANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYLSULFONYL)ANILINE(426-59-5)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYLSULFONYL)ANILINE(426-59-5)

Safety Data

• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 28-36/37-45
• Hazardous Substances Data: 426-59-5(Hazardous Substances Data)

Usage

General Description

3-(Trifluoromethylsulfonyl)aniline is a chemical compound with the molecular formula C7H6F3NO2S. It is an aniline derivative that contains a trifluoromethylsulfonyl group, which is a functional group consisting of a trifluoromethyl group and a sulfonyl group. 3-(TRIFLUOROMETHYLSULFONYL)ANILINE is commonly used as a building block in organic synthesis and pharmaceutical development due to its ability to modify the properties of organic molecules. It is also used as a reagent in the synthesis of various biologically active molecules and pharmaceutical intermediates. Additionally, it has applications in the agrochemical industry for the production of crop protection products. Overall, 3-(trifluoromethylsulfonyl)aniline is a versatile chemical with diverse applications in research, industry, and the development of new materials and pharmaceuticals.

InChI:InChI=1/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-2-5(11)4-6/h1-4H,11H2

Upstream product

• 1548-72-7 1-nitro-3-(trifluoromethylsulfonyl)benzene 
• 121-51-7 3-nitrobenzenesulphonyl chloride 
• 349-78-0 3-nitrobenzene-1-sulfonyl fluoride 

Downstream Products

• 406487-00-1 ethyl 5-{[(3-methoxybenzoyl)amino]methyl}-2-[(4-{3-[(trifluoromethyl)sulfonyl]anilino}piperidin-1-yl)sulfonyl]thiophene-3-carboxylate 
• 503183-05-9 4-[(3-trifluoromethanesulfonylphenyl)hydrazono]-4H-pyrazole-3,5-diamine 
• 329317-46-6 N-(3-Trifluoromethanesulfonyl-phenyl)-2-{2-[(3-trifluoromethanesulfonyl-phenylcarbamoyl)-methyl]-phenyl}-acetamide 
• 329317-53-5 {2-[(3-Trifluoromethanesulfonyl-phenylcarbamoyl)-methyl]-phenyl}-acetic acid 
• 330796-44-6 1-{1-[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1-methyl-3-(3-trifluoromethanesulfonylphenyl)urea 
• 1001185-10-9 C₈H₄F₃NO₃S 
• 1533424-22-4 4-(5-amino-1H-[1,2,4]triazol-3-ylamino)-2-trifluoromethanesulfonylbenzonitrile 
• 1533434-89-7 C₁₁H₇F₃N₄O₂S₂ 
• 1533425-11-4 4-isothiocyanato-2-(trifluoromethylsulfonyl)benzonitrile 
• 1533425-10-3 4-amino-2-(trifluoromethylsulfonyl)benzonitrile 

Relevant articles and documents

Herbicidally active phenylsubstituted 5-and 6-membered heterocyclic compounds

A compound of formula (I): STR1 where E is oxygen or sulphur; A is CR3 or N where R3 is hydrogen or hydrocarbyl; D completes a 5 or 6-membered non-aromatic heterocyclic ring which optionally contains additional heteroatoms selected from oxygen, nitrogen or sulphur and which is optionally substituted by an optionally substituted lower hydrocarbyl group, or an optionally substituted heteroaryl group; R1 and R2 are each independently hydrogen; optionally substituted lower hydrocarbyl, or optionally substituted heteroaryl, or R1 and R2 together with the nitrogen atom to which they are attached, form a heterocyclic ring; Z represents halogen optionally substituted lower hydrocarbyl, optionally substituted lower hydocarbyloxy, optionally substituted lower hydrocarbylthio, hydrocarbylsulphinyl or hydrocarbylsulphonyl, cyano, nitro, CHO, NHOH, ONR7' R7", SF5 ; CO (optionally substituted lower hydrocarbyl), acylamino, COOR7, SO2 NR8 R9, CONR10 R11, OR12 or NR13 R14 where R7, R7', R7", R8, R9, R10 and R11 are independently hydrogen or lower hydrocarbyl; R12 is hydrogen; SO2 lower hydrocarbyl or COR15 ; R13 and R14 are independently lower hydrocarbyl, lower hydrocarbyloxy or a group R12 ; R15 is OR16, NR17 R18, hydrogen or lower hydrocarbyl; R16 is lower hydrocarbyl; R17 and R18 are independently hydrogen or lower hydrocarbyl; provided that when there are two or more substituents Z, they may be the same or different; and m is 0 or an integer from 1 to 5.