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3-(4-(Trifluoromethyl)phenyl)acrylaldehyde - ≥95%, high purity , CAS No.41917-83-3

COA

Grade & Purity:

≥95%

Cas Number: 41917-83-3
EC Number: 663-263-6
PubChem CID: 11171628

In stock

Item Number

P725650

Grouped product items
SKU	Size	Availability	Price	Qty
P725650-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamaldehydes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamaldehydes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamaldehydes
Alternative Parents	Trifluoromethylbenzenes Styrenes Enals Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Aldehydes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Cinnamaldehyde - Styrene - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Aldehyde - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
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

IUPAC Name	(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enal
INCHI	InChI=1S/C10H7F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+
InChIKey	HYCDCKWWJCPUNT-OWOJBTEDSA-N
Smiles	C1=CC(=CC=C1C=CC=O)C(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1/C=C/C=O)C(F)(F)F
Alternate CAS	95123-61-8
PubChem CID	11171628

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	200.160 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	200.045 Da
Monoisotopic Mass	200.045 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	212.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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