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α-Chlorocinnamaldehyde - ≥90.0%, high purity , CAS No.18365-42-9

COA

Grade & Purity:

≥90%

Cas Number: 18365-42-9
Molecular Weight: 166.6
EC Number: 242-237-4
MDL number: MFCD00006967
PubChem CID: 5899053

In stock

Item Number

C102191

Grouped product items
SKU	Size	Availability	Price
C102191-250mg	250mg	2	$9.90
C102191-1g	1g	2	$21.90
C102191-5g	5g	3	$83.90
C102191-25g	25g	2	$320.90

Basic Description

Synonyms	.alpha.-Chlorocinnamaldehyde \| 2-Propenal, 2-chloro-3-phenyl- \| a-chlorocinnamaldehyde \| alpha-Chlorocinnamaldehyde, 97% \| EINECS 242-237-4 \| SCHEMBL560302 \| DTXSID001031058 \| Cinnamaldehyde, alpha-chloro-, (Z)- \| AKOS000119888 \| alpha -chlorocinnamaldehy
Specifications & Purity	≥90%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	α-Chlorocinnamaldehyde inhibits the corrosion of ARMCO iron in 4 M HCl. It undergoes chemoselective reduction in the presence of calcium amidoborane to yield allylic alcohol.

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	Benzene and substituted derivatives Enals Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamaldehyde - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Aldehyde - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen 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

IUPAC Name	(Z)-2-chloro-3-phenylprop-2-enal
INCHI	InChI=1S/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChIKey	SARRRAKOHPKFBW-TWGQIWQCSA-N
Smiles	C1=CC=C(C=C1)C=C(C=O)Cl
Isomeric SMILES	C1=CC=C(C=C1)/C=C(/C=O)\Cl
WGK Germany	3
RTECS	GD6489990
Molecular Weight	166.6
Reaxy-Rn	2205649
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205649&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
B2302521	Certificate of Analysis	Nov 19, 2024	C102191
B2302819	Certificate of Analysis	Nov 19, 2024	C102191
B23021103	Certificate of Analysis	Nov 19, 2024	C102191
B2302920	Certificate of Analysis	Nov 19, 2024	C102191
I2412076	Certificate of Analysis	Nov 30, 2022	C102191

Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	1.64
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	107-108 °C/3 mmHg
Melt Point(°C)	20-22°C
Molecular Weight	166.600 g/mol
XLogP3	2.600
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	157.000
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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