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(E)-3-(4-Chlorophenyl)acrylaldehyde - 96%, high purity , CAS No.49678-02-6

COA

Grade & Purity:

≥96%

Cas Number: 49678-02-6
Molecular Weight: 166.6
MDL number: MFCD00156880
PubChem CID: 5924929
PubChem SID: 488195640

In stock

Item Number

E193580

Grouped product items
SKU	Size	Availability	Price
E193580-1g	1g	3	$39.90
E193580-5g	5g	3	$176.90
E193580-10g	10g	3	$317.90
E193580-25g	25g	4	$713.90
E193580-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,567.90

Basic Description

Synonyms	AKOS006273607 \| A871753 \| trans-4-chlorocinnamaldehyde \| 3-(4-chlorophenyl)prop-2-enal \| HONRSHHPFBMLBT-OWOJBTEDSA-N \| (E)-3-(4-Chlorophenyl)acrylaldehyde \| (E)-3-(4-chlorophenyl)prop-2-enal \| 4-Chloro cinnamaldehyde \| NCGC00170991-01 \| p-Chlorocinnamalde
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

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 Chlorobenzenes Aryl chlorides Enals Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamaldehyde - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Organochloride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - 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

Pubchem Sid	488195640
IUPAC Name	(E)-3-(4-chlorophenyl)prop-2-enal
INCHI	InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChIKey	HONRSHHPFBMLBT-OWOJBTEDSA-N
Smiles	C1=CC(=CC=C1C=CC=O)Cl
Isomeric SMILES	C1=CC(=CC=C1/C=C/C=O)Cl
WGK Germany	3
Molecular Weight	166.6
Reaxy-Rn	2041143
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041143&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
D2312094	Certificate of Analysis	Jan 05, 2023	E193580
G2312222	Certificate of Analysis	Jan 05, 2023	E193580
C2016154	Certificate of Analysis	Jan 05, 2023	E193580

Chemical and Physical Properties

Melt Point(°C)	57-63℃
Molecular Weight	166.600 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	166.019 Da
Monoisotopic Mass	166.019 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146.000
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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