Dichloroacetic acid(DCA) - AR, ≥98% , CAS No.79-43-6

Name: Dichloroacetic acid(DCA) - AR, ≥98% , CAS No.79-43-6
SKU: D104244
Availability: InStock

CAS: 79-43-6 Cat. No.: D104244 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) - AR, ≥98% CAS No(79-43-6) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY AR ? ≥98%

Synonyms

Storage

Room temperature,Argon charged,Desiccated

Shipped In

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 Documents & Articles Citations of This Product Solution Calculators Reviews

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Why this grade

AR, ≥98% AR for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Argon charged,Desiccated Ships FedEx DG Service Check lot-specific COA for exact specifications.

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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.

Specifications

Synonyms

Specifications & Purity

AR, ≥98%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Grade

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751137

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751137

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
H2621225	Certificate of Analysis	Sep 02, 2026	D104244
H2621224	Certificate of Analysis	Sep 02, 2026	D104244
H2621223	Certificate of Analysis	Sep 02, 2026	D104244
D2617387	Certificate of Analysis	Apr 08, 2026	D104244
D2617388	Certificate of Analysis	Apr 08, 2026	D104244
D2620511	Certificate of Analysis	Apr 08, 2026	D104244
F2603003	Certificate of Analysis	Apr 08, 2026	D104244
K2105673	Certificate of Analysis	Aug 12, 2025	D104244
G2518015	Certificate of Analysis	Jul 28, 2025	D104244
G2504167	Certificate of Analysis	Jun 04, 2025	D104244
G2504168	Certificate of Analysis	Jun 04, 2025	D104244
G2504543	Certificate of Analysis	Jun 04, 2025	D104244
L2412562	Certificate of Analysis	Nov 11, 2024	D104244
L2412555	Certificate of Analysis	Nov 11, 2024	D104244
L2412554	Certificate of Analysis	Nov 11, 2024	D104244
E2527191	Certificate of Analysis	Nov 11, 2024	D104244
H2405160	Certificate of Analysis	Jul 23, 2024	D104244
H2405161	Certificate of Analysis	Jul 23, 2024	D104244
H2405162	Certificate of Analysis	Jul 23, 2024	D104244
F2421204	Certificate of Analysis	Jun 03, 2024	D104244
B2426249	Certificate of Analysis	Mar 01, 2024	D104244
B2426248	Certificate of Analysis	Mar 01, 2024	D104244
A2405068	Certificate of Analysis	Feb 27, 2024	D104244
H2321112	Certificate of Analysis	Aug 29, 2023	D104244
K2317129	Certificate of Analysis	Aug 29, 2023	D104244
F23081019	Certificate of Analysis	Jun 12, 2023	D104244
K2106009	Certificate of Analysis	Jun 12, 2023	D104244
B2301626	Certificate of Analysis	Feb 03, 2023	D104244
E2306637	Certificate of Analysis	Oct 20, 2021	D104244

Solubility	Solubility in water: soluble Solubility in other solvents: miscible with alcohol, ether and ethanol soluble in acetone
Sensitivity	Moisture sensitive.
Freezing Point(°C)	13 °C
Refractive Index	1.4659
Flash Point(°C)	>112℃
Boil Point(°C)	193-194°C
Melt Point(°C)	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) - AR, ≥98% , 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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