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1，1，1-Trifluoro-6-phenylhex-5-ene-2，4-dione - ≥98%, high purity , CAS No.18931-64-1

COA

Grade & Purity:

≥98%

Cas Number: 18931-64-1
Molecular Weight: 242.2
PubChem CID: 5340907

In stock

Item Number

T691722

Grouped product items
SKU	Size	Availability	Price
T691722-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
T691722-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
T691722-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$550.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acids and derivatives
Alternative Parents	Styrenes Beta-diketones Enones Alpha-haloketones Acryloyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid or derivatives - Styrene - 1,3-diketone - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Alpha-haloketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
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)-1,1,1-trifluoro-6-phenylhex-5-ene-2,4-dione
INCHI	InChI=1S/C12H9F3O2/c13-12(14,15)11(17)8-10(16)7-6-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+
InChIKey	CSOPVKUECMSWBR-VOTSOKGWSA-N
Smiles	C1=CC=C(C=C1)C=CC(=O)CC(=O)C(F)(F)F
Isomeric SMILES	C1=CC=C(C=C1)/C=C/C(=O)CC(=O)C(F)(F)F
PubChem CID	5340907
Molecular Weight	242.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.190 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	242.055 Da
Monoisotopic Mass	242.055 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	312.000
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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