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ChemicalBook > Product Catalog >Pharmaceutical intermediates >Bulk Drug Intermediates >3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

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Company Name: Yangzhou Qinyuan Pharmatech Co.,ltd
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Products Intro: Product Name:3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CAS:641571-11-1
Purity:99% Package:10g;0.00;USD
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Products Intro: Product Name:3-(4-Methyl-1H-Imidazol-1-yl)-5-(Trifluoromethyl)Aniline
CAS:641571-11-1
Purity:0.99 Package:1kg Remarks:MG25751
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CAS:641571-11-1
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CAS:641571-11-1
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Products Intro: Product Name:3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CAS:641571-11-1
Purity:98%(Min.) Package:100g;1kg;5kg,10kg,25kg,50kg

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline manufacturers

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Basic information
Product Name:3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Synonyms:Nilotinib genotoxic impurity 1;3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline;Nilotinib Intemediate 1;1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole;3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl) benzene amine;3-(trifluoromethyl)-5-(4-methyl-1H-imidazol-1-yl)benzenamine;3-(4-Methyl-iMidazol-1-yl)-5-trifluoro-MethylphenylaMine
CAS:641571-11-1
MF:C11H10F3N3
MW:241.21
EINECS:688-269-6
Product Categories:Nilotinib/Tasigna;Amines;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
Mol File:641571-11-1.mol
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Structure
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Chemical Properties
Melting point 124-126°C
Boiling point 372.14℃[at 101 325 Pa]
density 1.35
vapor pressure 0Pa at 25℃
storage temp. Keep in dark place,Inert atmosphere,Room temperature
solubility DMSO (Slightly), Methanol (Slightly)
form powder to crystal
color White to Light gray to Light yellow
Water Solubility 228.6mg/L at 25℃
InChIInChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
InChIKeyWWTGXYAJVXKEKL-UHFFFAOYSA-N
SMILESC1(N2C=C(C)N=C2)C=C(N)C=C(C(F)(F)F)C=1
LogP2.42
CAS DataBase Reference641571-11-1(CAS DataBase Reference)
Safety Information
Risk Statements 41
Safety Statements 26-39
RIDADR 2811
HazardClass 6.1
PackingGroup 
HS Code 2933299090
MSDS Information
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Usage And Synthesis
Description3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline is a pharmaceutical intermediate component used in the preparation of Nilotinib for the treatment of a variety of leukaemias, including chronic myeloid leukaemia (CML).
Chemical Properties3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline is a white to light grey to light yellow powder to crystals with a melting point of 130 °C.
UsesIntermediate in the preparation of Nilotinib.
Application3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline is an arylimidazole derivative. This compound includes multiple functional groups: aniline, methyl, and imidazole. Hence, the compound is readily available for further functionalization. This building block can typically synthesize homoleptic imidazole-type iridium (Ir) triplet emitters as a blue phosphorescent emitter in OLED. The iridium organometallic complex is formed by coordinating the imidazole and the aryl group to the iridium metal center. The trifluoromethyl group, with a strong electron-withdrawing effect, increases the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital (HOMO-LUMO), hence enabling a blue shift in the photoluminescent emission[1].
References[1] Qiang Wei. “Small-Molecule Emitters with High Quantum Efficiency: Mechanisms, Structures, and Applications in OLED Devices.” Advanced Optical Materials 6 20 (2018).
Tag:3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline(641571-11-1) Related Product Information
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