ChemicalBook > CAS DataBase List > 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

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

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Structure
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
  • CAS No.641571-11-1
  • Chemical Name:3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
  • CBNumber:CB91503963
  • Molecular Formula:C11H10F3N3
  • Formula Weight:241.21
  • MOL File:641571-11-1.mol
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Property
  • 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℃
  • InChI InChI=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
  • InChIKey WWTGXYAJVXKEKL-UHFFFAOYSA-N
  • SMILES C1(N2C=C(C)N=C2)C=C(N)C=C(C(F)(F)F)C=1
  • LogP 2.42
  • CAS DataBase Reference 641571-11-1(CAS DataBase Reference)
  • FDA UNII 5LLI0Q7APP
  • UNSPSC Code 41116107
  • NACRES NA.24
Safety
  • Risk Statements  :41
  • Safety Statements  :26-39
  • RIDADR  :2811
  • HazardClass  :6.1
  • PackingGroup  :Ⅲ
  • HS Code  :2933299090
Hazard and Precautionary Statements (GHS)
  • Symbol(GHS)
  • Signal wordDanger
  • Hazard statements H301-H318
  • Precautionary statements P280-P301+P310-P305+P351+P338
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Price More Price(4)
  • Brand: Sigma-Aldrich(India)
  • Product number: VBP00135
  • Product name : 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
  • Purity: AldrichCPR
  • Packaging: 1G
  • Price: ₹41860.28
  • Updated: 2022/06/14
  • Buy: Buy
  • Brand: Sigma-Aldrich(India)
  • Product number: PHR2834
  • Product name : Nilotinib Related Compound A
  • Purity: Pharmaceutical Secondary Standard; Certified Reference Material
  • Packaging: 50MG
  • Price: ₹44804.68
  • Updated: 2022/06/14
  • Buy: Buy
  • Brand: TCI Chemicals (India)
  • Product number: M2634
  • Product name : 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
  • Purity: min. 98.0 %
  • Packaging: 1G
  • Price: ₹4600
  • Updated: 2022/05/26
  • Buy: Buy
  • Brand: TCI Chemicals (India)
  • Product number: M2634
  • Product name : 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
  • Purity: min. 98.0 %
  • Packaging: 5G
  • Price: ₹9800
  • Updated: 2022/05/26
  • Buy: Buy

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Chemical Properties,Usage,Production

  • Description 3-(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 Properties 3-(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.
  • Uses Intermediate in the preparation of Nilotinib.
  • Application 3-(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).
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Preparation Products And Raw materials
Raw materials
Preparation Products
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Suppliers
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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Spectrum
641571-11-1, 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)anilineRelated Search:
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Heterocycles
  • Aromatics
  • Amines
  • Nilotinib/Tasigna
  • 化工中间体
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  • 抗癌类
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  • 541571-11-1
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  • 哌唑嗪相关杂质
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  • 尼罗替尼杂质15(尼罗替尼EP杂质A)
  • 盐酸尼罗替尼杂质A
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  • 3-(三氟甲基)-5-(4-甲基-1H-咪唑-1-基)苯胺
  • 尼罗替尼EP杂质A
  • 尼洛替尼基因毒性杂质1
  • NILOTINIB RELATED COMPOUND A USP IMPURITY CERTIFIED REFERENCE STANDARD; 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYLANILINE
  • 3-(4-甲基-1H-咪唑-1-基)-5-(三氟甲基)苯胺(尼罗替尼杂质A)
  • 尼洛替尼氨基杂质
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  • 3-(4-甲基-1H-咪唑-...
  • 3-(4-甲基-1-咪唑基)-5-三氟甲基苯胺
  • 尼洛替尼杂质24
  • 尼洛替尼中间体
  • 尼洛替尼EP杂质A
  • 尼罗替尼杂质24
  • 3-(4-甲基-1H-咪唑-1-基)-5-(三氟甲基)苯胺,尼罗替尼中间体 1KG
  • 3-(4-甲基-咪唑-1-基)-5-三氟甲基苯胺
  • 3-(4-甲基-1H-咪唑-1-基)-5-(三氟甲基)苯胺
  • 3-(4-甲基咪唑)-5-三氟甲基苯胺
  • 尼罗替尼中间体4
  • 3-(4-甲基-1H-咪唑-1-基)-5-(三氟甲基)苯胺,尼罗替尼中间体
  • 3-(4-甲基-1<I>H</I>-咪唑-1-基)-5-(三氟甲基)苯胺
  • 尼罗替尼中间体3-(4-甲基-1H-咪唑-1-基)-5-(三氟甲基)苯胺
  • 尼罗替尼氨基物3
  • 3-(4-甲基-1H-咪唑基-1-基)-5-(三氟甲基)苯胺
  • 641571-11-1
  • Nilotinib Impurity 24 Nilotinib EP Impurity A (Nilotinib USP Related Compound A)

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