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2，6-Difluorocinnamaldehyde - ≥97%, high purity , CAS No.117338-43-9

COA

Grade & Purity:

≥97%

Cas Number: 117338-43-9
Molecular Weight: 168.14
PubChem CID: 15606586

In stock

Item Number

D691618

Grouped product items
SKU	Size	Availability	Price
D691618-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$122.90
D691618-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90
D691618-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$441.90

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	Styrenes Fluorobenzenes Aryl fluorides Enals Organofluorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamaldehyde - Styrene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enal - Alpha,beta-unsaturated aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organooxygen compound - Aldehyde - 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-(2,6-difluorophenyl)prop-2-enal
INCHI	InChI=1S/C9H6F2O/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1-6H/b3-2+
InChIKey	ABQCTYYKKNJKPK-NSCUHMNNSA-N
Smiles	C1=CC(=C(C(=C1)F)C=CC=O)F
Isomeric SMILES	C1=CC(=C(C(=C1)F)/C=C/C=O)F
PubChem CID	15606586
Molecular Weight	168.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.140 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	168.039 Da
Monoisotopic Mass	168.039 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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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