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2,4-Dichlorocinnamic acid - 97%, high purity , CAS No.1201-99-6

COA

Grade & Purity:

≥97%

Cas Number: 1201-99-6
Molecular Weight: 217.05
PubChem CID: 688026
PubChem SID: 488191076

In stock

Item Number

D190038

Grouped product items
SKU	Size	Availability	Price
D190038-1g	1g	2	$9.90
D190038-5g	5g	1	$14.90
D190038-25g	25g	2	$52.90
D190038-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$153.90

Basic Description

Synonyms	2,4-DICHLOROCINNAMIC ACID \| 1201-99-6 \| trans-2,4-Dichlorocinnamic acid \| 20595-45-3 \| (E)-3-(2,4-dichlorophenyl)acrylic acid \| 2-Propenoic acid, 3-(2,4-dichlorophenyl)- \| 2-PROPENOIC ACID, 3-(2,4-DICHLOROPHENYL)-, (2E)- \| (2E)-3-(2,4-Dichlorophenyl)acrylic acid \| Cinnam
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acids
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acids
Alternative Parents	Styrenes Dichlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid - 1,3-dichlorobenzene - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group 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

Pubchem Sid	488191076
IUPAC Name	(E)-3-(2,4-dichlorophenyl)prop-2-enoic acid
INCHI	InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey	MEBWABJHRAYGFW-DUXPYHPUSA-N
Smiles	C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O
Isomeric SMILES	C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)O
Molecular Weight	217.05
Reaxy-Rn	1369152
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1369152&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
H2127336	Certificate of Analysis	Jun 15, 2024	D190038
H2127337	Certificate of Analysis	Jun 15, 2024	D190038
H2127614	Certificate of Analysis	Jun 15, 2024	D190038
H2127615	Certificate of Analysis	Jun 15, 2024	D190038

Chemical and Physical Properties

Molecular Weight	217.050 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.974 Da
Monoisotopic Mass	215.974 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216.000
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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