Skip to the beginning of the images gallery

Dimethyl chloromalonate - ≥90%, high purity , CAS No.28868-76-0

COA

Grade & Purity:

≥90%

Cas Number: 28868-76-0
Molecular Weight: 166.56
Beilstein Registry Number: 1768415
EC Number: 249-275-0
MDL number: MFCD00042837
PubChem CID: 120070
PubChem SID: 488187626

In stock

Item Number

D136538

Grouped product items
SKU	Size	Availability	Price
D136538-5g	5g	3	$34.90
D136538-25g	25g	3	$102.90
D136538-100g	100g	2	$369.90
D136538-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,662.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	2-Chloro-malonic acid dimethyl ester \| DIMETHYL .ALPHA.-CHLOROMALONATE \| dimethylchloromalonate \| CAS-28868-76-0 \| C5H7ClO4 \| dimethyl 2-chloranylpropanedioate \| Dimethyl chloromalonate, 94% \| DS-2785 \| dimethyl 2-chloropropanedioate \| dimethyl chloroprop
Specifications & Purity	≥90%
Shipped In	Normal
Product Description	Dimethyl chloromalonate (dimethyl 2-chloromalonate) is a dialkyl 2-substituted malonate. Carbanions of dimethyl chloromalonate are reported to react with naphthoquinone derivatives, via vicarious nucleophilic substitution or oxidative nucleophilic substitution of hydrogen processes. Dimethyl chloromalonate is reported to react with hydroquinone and monosubstituted hydroquinones to afford 2-oxido-benzo[b]furan derivatives. Synthesis of dimethyl 2-chloromalonate, via chlorination of dimethyl malonate has been reported.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	1,3-dicarbonyl compounds Methyl esters Alpha-halocarboxylic acid derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl chloride - Organic oxide - Alkyl halide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488187626
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187626
IUPAC Name	dimethyl 2-chloropropanedioate
INCHI	InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChIKey	LNBQBURECUEBKZ-UHFFFAOYSA-N
Smiles	COC(=O)C(C(=O)OC)Cl
Isomeric SMILES	COC(=O)C(C(=O)OC)Cl
WGK Germany	3
Molecular Weight	166.56
Beilstein	1768415
Reaxy-Rn	1768415
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768415&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.

8 results found

Lot Number	Certificate Type	Date	Item
F2325442	Certificate of Analysis	Apr 09, 2025	D136538
F2325427	Certificate of Analysis	Apr 09, 2025	D136538
J2218674	Certificate of Analysis	Aug 19, 2024	D136538
J2218773	Certificate of Analysis	Aug 19, 2024	D136538
K2415112	Certificate of Analysis	Aug 19, 2024	D136538
J2218682	Certificate of Analysis	Aug 19, 2024	D136538
J2218657	Certificate of Analysis	Aug 19, 2024	D136538
D2026104	Certificate of Analysis	Feb 15, 2022	D136538

Chemical and Physical Properties

Refractive Index	1.44
Flash Point(°F)	224.6 °F
Flash Point(°C)	107 °C
Boil Point(°C)	105-106°C/19mmHg
Molecular Weight	166.560 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	166.003 Da
Monoisotopic Mass	166.003 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration