ChemicalBook > CAS DataBase List > 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
- Product Name
- 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
- Synonyms
- NILOTINIB IMPURITY 24;Nilotinib EP Impurity A;Nilotinib Intemediate 1;Nilotinib Amino Impurity;Nilotinib??Intermediates?A;Nilotinib Related Compound A;Nilotinib genotoxic impurity 1;Nilotinib Hydrochloride Monohydrate Impurity A;Nilotinib Impurity 15(Nilotinib EP Impurity A);3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)
- CBNumber
- CB91503963
- Molecular Formula
- C11H10F3N3
- Formula Weight
- 241.21
- MOL File
- 641571-11-1.mol
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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)
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H301Toxic if swalloed
H318Causes serious eye damage
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- VBP00135
- Product name
- 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
- Packaging
- 1g
- Price
- $482
- Updated
- 2024/03/01
TCI Chemical
- Product number
- M2634
- Product name
- 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
- Purity
- >98.0%(GC)(T)
- Packaging
- 1g
- Price
- $33
- Updated
- 2024/03/01
TCI Chemical
- Product number
- M2634
- Product name
- 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $109
- Updated
- 2024/03/01
TRC
- Product number
- M313065
- Product name
- 3-(4-Methyl-1H-imidazol-1-yl)-5-trifluoromethylaniline
- Packaging
- 25mg
- Price
- $145
- Updated
- 2021/12/16
SynQuest Laboratories
- Product number
- 3H30-3-T2
- Product name
- 3-Amino-5-(4-methyl-1H-imidazol-1-yl)benzotrifluoride
- Packaging
- 250mg
- Price
- $150
- Updated
- 2021/12/16
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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
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View Lastest Price from 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline manufacturers
Wuhan Circle Star Chem-medical Technology Co.,Ltd
- Product
- 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 641571-11-1
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98
- Supply Ability
- 1000
- Release date
- 2025-01-06
Nanjing Fred Technology Co., Ltd
- Product
- 3-(4-Methyl-1H-Imidazol-1-yl)-5-(Trifluoromethyl)Aniline 641571-11-1
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1 ton
- Release date
- 2023-12-20
Henan Fengda Chemical Co., Ltd
- Product
- 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 641571-11-1
- Price
- US $35.00-1.20/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-03-28
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