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Methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate - 95%, high purity , CAS No.74073-22-6

1 Citations

COA

Grade & Purity:

≥95%

Cas Number: 74073-22-6
Molecular Weight: 273.11
PubChem CID: 11821770

In stock

Item Number

M194833

Grouped product items
SKU	Size	Availability	Price
M194833-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
M194833-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
M194833-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90
M194833-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90

Discover Methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate by Aladdin Scientific in 95% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	DTXSID10473827 \| AC-5619 \| A9515 \| SCHEMBL10387257 \| Methyl-2-(2,3-dichlorbenzyliden)acetoacetate \| MFCD00800930 \| Methyl 2-(2,3-dichlorobenzylidine)acetoacetate \| CS-0155157 \| 2,3-dichlorobenzylideneacetoacetate \| Butanoic acid, 2-[(2,3-dichlorophenyl)me
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acid esters
Alternative Parents	Dichlorobenzenes Fatty acid esters Beta-keto acids and derivatives Aryl chlorides Alpha-branched alpha,beta-unsaturated ketones Methyl esters Enones Enoate esters Acryloyl compounds Ketones Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid ester - 1,2-dichlorobenzene - Halobenzene - Fatty acid ester - Chlorobenzene - Beta-keto acid - Aryl chloride - Aryl halide - Keto acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Benzenoid - Enone - Methyl ester - Acryloyl-group - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic 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	methyl (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoate
INCHI	InChI=1S/C12H10Cl2O3/c1-7(15)9(12(16)17-2)6-8-4-3-5-10(13)11(8)14/h3-6H,1-2H3/b9-6+
InChIKey	QQXPSPWWWCQBFM-RMKNXTFCSA-N
Smiles	CC(=O)C(=CC1=C(C(=CC=C1)Cl)Cl)C(=O)OC
Isomeric SMILES	CC(=O)/C(=C\C1=C(C(=CC=C1)Cl)Cl)/C(=O)OC
Molecular Weight	273.11
Reaxy-Rn	2741016
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2741016&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	273.110 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	272.001 Da
Monoisotopic Mass	272.001 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	339.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Gao Die, Zhu Qingqing, Liu Peng, Zhou Qing, Cheng Xiujie, Liu Li, Xu Junli, Lu Xingmei. (2023) Efficient Pretreatment of Corn Straw with Ionic Liquid Composite System. Journal of Inorganic and Organometallic Polymers and Materials, 33 (7): (2000-2012).

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