Basic Description

Synonyms	AM20041371 \| EC 427-880-2 \| MFCD03411609 \| AKOS015900543 \| N-methacryloyl-4-cyano-3-trifluoromethylaniline \| N-(4-Cyano-3-trifluoromethyl-phenyl)-2-methyl-acrylamide \| 2-Propenamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl \| 2-Propenamide, N-[4-cya
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Anilides N-arylamides Benzonitriles Secondary carboxylic acid amides Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Anilide - Benzonitrile - N-arylamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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

Names and Identifiers

Pubchem Sid	488197226
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197226
IUPAC Name	N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
INCHI	InChI=1S/C12H9F3N2O/c1-7(2)11(18)17-9-4-3-8(6-16)10(5-9)12(13,14)15/h3-5H,1H2,2H3,(H,17,18)
InChIKey	HHWDZLSGDDXUSM-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
Isomeric SMILES	CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
Molecular Weight	254.21
Reaxy-Rn	7095859
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7095859&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
B2423070	Certificate of Analysis	Sep 10, 2021	N159437
C2508062	Certificate of Analysis	Sep 10, 2021	N159437
L2405075	Certificate of Analysis	Sep 10, 2021	N159437
D2323786	Certificate of Analysis	Sep 10, 2021	N159437
H2324298	Certificate of Analysis	Sep 10, 2021	N159437
G2404033	Certificate of Analysis	Sep 10, 2021	N159437

Chemical and Physical Properties

Melt Point(°C)	143 °C
Molecular Weight	254.210 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	254.067 Da
Monoisotopic Mass	254.067 Da
Topological Polar Surface Area	52.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	394.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Lu Liu, Haiyan Liu, Hongyuan Yan, Huaizhong Guo, Ligai Bai. (2023) Separation and purification of glycosides from medicinal plants based on strong polar separation medium with online closed-loop mode. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 234 (115508).
2. Lu Liu, Sinan Lu, Haiyan Liu, Ligai Bai. (2022) A simple and efficient method for the extraction and purification of tuberostemonine from Stemonae Radix using an amide group-based monolithic cartridge. SEPARATION AND PURIFICATION TECHNOLOGY, 300 (121843).

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SKU	Size	Availability	Price
N159437-1g	1g	1	$75.90
N159437-5g	5g	1	$222.90
N159437-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$400.90
N159437-25g	25g	3	$900.90
N159437-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,241.90

N-[4-Cyano-3-(trifluoromethyl)phenyl]methacrylamide - >98.0%(GC), high purity , CAS No.90357-53-2