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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline - >98.0%, high purity , CAS No.641571-11-1

COA

Grade & Purity:

≥98%

Cas Number: 641571-11-1
Molecular Weight: 241.22
EC Number: 688-269-6
MDL number: MFCD11846236
PubChem CID: 12002825
PubChem SID: 488197839

In stock

Item Number

M158498

Grouped product items
SKU	Size	Availability	Price
M158498-1g	1g	2	$25.90
M158498-5g	5g	3	$84.90
M158498-10g	10g	3	$152.90
M158498-25g	25g	2	$342.90
M158498-100g	100g	2	$1,232.90

View related series

Five-Membered Heterocyclic Compounds (2064) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	EC 688-269-6 \| MB10071 \| SCHEMBL1505804 \| BCP04529 \| (1Z)-2-Methylpropanal oxime \| 3-(4-Methyl-1H-imidazol-1-yl)-5-trifluoromethylaniline \| BDBM50584383 \| 3-(4-METHYL-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYL-PHENYLAMINE \| 3-(4-methylimidazol-1-yl)-5-trifluorometh
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	Trifluoromethylbenzenes Aniline and substituted anilines N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylimidazole - Trifluoromethylbenzene - Aniline or substituted anilines - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azacycle - Organopnictogen compound - Amine - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488197839
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197839
IUPAC Name	3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
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	CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F
Isomeric SMILES	CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F
Alternate CAS	641571-11-1
Molecular Weight	241.22
Reaxy-Rn	11280392
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11280392&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
F2015078	Certificate of Analysis	Apr 02, 2024	M158498

Chemical and Physical Properties

Melt Point(°C)	130 °C
Molecular Weight	241.210 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	241.083 Da
Monoisotopic Mass	241.083 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	269.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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