Dichloroacetic acid (DCA) - ≥99% , CAS No.79-43-6

Name: Dichloroacetic acid (DCA) - ≥99% , CAS No.79-43-6
SKU: D305467
Availability: InStock

CAS: 79-43-6 Cat. No.: D305467 Formula: C₂H₂Cl₂O₂ Molecular Weight: 128.94 Beilstein Registry Number: 2202 EC Number: 201-207-0

35 Citations COA

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Dichloroacetic acid (DCA) - ≥99% CAS No(79-43-6) D305467 by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥99%

Synonyms

TF4 | DCA | Dichlorethanoic acid | DTXSID2020428 | NCGC00091444-03 | Dichloressigsaeure | EN300-20014 | NSC2654 | NSC-2654 | Tox21_111133 | 2,2-Dichloroacetic acid | 2,2-dichloro-acetic acid | AKOS005720869 | AS-14228 | BRN 1098596 | CCRIS 4016 | DICHLORO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties FAQs and Articles Citations of This Product Solution Calculators Reviews

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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice,FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 35 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Dichloroacetic acid is a simple halogenated acetic acid compound with two chlorides at the α-position. Dichloroacetic acid has been demonstrated to inhibit mitochondrial PDK (pyruvate dehydrogenase kinase) and to shift cellular metabolism from glycolysis to glucose oxidation, and these activities have been correlated to interruption of apoptosis resistance in certain cancer cell lines.

A mitochondrial PDK (pyruvate dehydrogenase kinase) inhibitor.Dichloroacetic acid (DCA) can be used as:

· A reactant in the synthesis of chloroketones by reacting with esters in the presence of LiHMDS via Claisen-type homologation reaction.

· A structure-directing agent, solvent, or plastdopant for the preparation of different morphologies of polyaniline (PANI). Self-assembling nanostructured PANI may be formed due to the presence of strong hydrogen bonding between DCA and aniline/polyaniline.

Dichloroacetic acid salts are used as drugs due to its inhibition of the enzyme pyruvate dehydrogenase kinase. It is also employed to stem the production of lactic acid to treat lactic acidosis. It is clinically essential in children to treat lactic acidosis.

Specifications

Synonyms

Specifications & Purity

≥99%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Pubchem Sid

508812169

Canonical Smiles

C(C(=O)O)(Cl)Cl

IUPAC Name

2,2-dichloroacetic acid

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

INCHI

1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

Isomeric SMILES

C(C(=O)O)(Cl)Cl

WGK Germany

RTECS

AG6125000

UN Number

1764

Packing Group

Molecular Weight

128.94

Beilstein

2202

Reaxy-Rn

1098596

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098596&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Alpha-halocarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Alpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Alpha-halocarboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
External Descriptors	Halogenated fatty acids
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

3D Structure

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSTZ1 Tbio Glutathione S-transferase zeta 1 (4 Activities)

Discover Target: GSTZ1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDK2 Tchem Pyruvate dehydrogenase kinase isoform 2 (894 Activities)

Discover Target: PDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)

Discover Target: PDK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDK3 Tchem Pyruvate dehydrogenase kinase isoform 3 (60 Activities)

Discover Target: PDK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDK4 Tchem Pyruvate dehydrogenase kinase isoform 4 (177 Activities)

Discover Target: PDK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A-375 (9258 Activities)

Lot Number	Certificate Type	Date	Item
J2524724	Certificate of Analysis	Sep 03, 2025	D305467
J2524374	Certificate of Analysis	Sep 03, 2025	D305467
G2521353	Certificate of Analysis	Jul 12, 2025	D305467
G2521351	Certificate of Analysis	Jul 12, 2025	D305467
G2521350	Certificate of Analysis	Jul 12, 2025	D305467
L2404646	Certificate of Analysis	Oct 28, 2024	D305467
L2404626	Certificate of Analysis	Oct 28, 2024	D305467
D2412524	Certificate of Analysis	Apr 01, 2024	D305467
D2412523	Certificate of Analysis	Apr 01, 2024	D305467
I2306406	Certificate of Analysis	Jul 19, 2023	D305467
I2306423	Certificate of Analysis	Jul 19, 2023	D305467
G2315686	Certificate of Analysis	Jun 29, 2023	D305467
G2315682	Certificate of Analysis	Jun 29, 2023	D305467
G2315684	Certificate of Analysis	Jun 29, 2023	D305467
E2330914	Certificate of Analysis	Apr 13, 2023	D305467
E2330910	Certificate of Analysis	Apr 13, 2023	D305467
D2311620	Certificate of Analysis	Mar 28, 2023	D305467
D2311598	Certificate of Analysis	Mar 28, 2023	D305467
H2216302	Certificate of Analysis	Oct 26, 2021	D305467

Solubility	Solubility in water: soluble; Solubility in other solvents: miscible with alcohol, ether and ethanol soluble in acetone
Sensitivity	Moisture sensitive
x_freezing_point	13 °C
x_refractive_index	1.4659
x_flash_point_drop_centigrade	>112℃
x_boil_point_char	193-194°C
x_melt_point_char	9.7°C
Molecular Weight	128.940 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	127.943 Da
Monoisotopic Mass	127.943 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	60.600
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

Dichloroacetic acid (DCA) - ≥99% , CAS No.79-43-6

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

📚 Citations by Application

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