Ácido dicloroacético - ≥99% , CAS No.79-43-6

Name: Ácido dicloroacético - ≥99% , CAS No.79-43-6
SKU: D305467
Availability: InStock

CAS: 79-43-6 Cat. No.: D305467 Fórmula: C₂H₂Cl₂O₂ Peso molecular: 128.94 Beilstein Registry Number: 2202 Número CE: 201-207-0

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Ácido dicloroacético - ≥99% CAS No(79-43-6) D305467 by Aladdin Scientific

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Disponível para encomenda

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

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Visão geral Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas FAQs e artigos Citations of This Product Calculadoras de soluções Revisões

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Why this grade

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

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Storage & shipping

Armazenar a 2-8°C, carregado com árgon Ships Gelo húmido 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.

Visão geral

O ácido dicloroacético é um composto simples de ácido acético halogenado com dois cloretos na posição α. Foi demonstrado que o ácido dicloroacético inibe a PDK mitocondrial (piruvato desidrogenase quinase) e muda o metabolismo celular da glicólise para a oxidação da glicose, tendo estas actividades sido correlacionadas com a interrupção da resistência à apoptose em certas linhas de células cancerosas.

Um inibidor mitocondrial da PDK (piruvato desidrogenase quinase). O ácido dicloroacético (DCA) pode ser utilizado como:

- Um reagente na síntese de clorocetonas por reação com ésteres na presença de LiHMDS via reação de homologação do tipo Claisen.

- Um agente direccionador de estrutura, solvente ou plastodepante para a preparação de diferentes morfologias de polianilina (PANI). A PANI nanoestruturada auto-montante pode ser formada devido à presença de uma forte ligação de hidrogénio entre o DCA e a anilina/polianilina.

Os sais de ácido dicloroacético são utilizados como medicamentos devido à sua inibição da enzima piruvato desidrogenase quinase. Também é utilizado para conter a produção de ácido lático para tratar a acidose láctica. É clinicamente essencial em crianças para tratar a acidose láctica.

Specifications

Sinónimos

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508812169

Sorrisos canónicos

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)

SMILES isoméricas

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

WGK Alemanha

RTECS

AG6125000

Número UN

1764

Grupo de embalagem

Peso molecular

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
  - Classe Carboxylic acids and derivatives
    - Subclass Alpha-halocarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Classe	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
Descrição	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

Estrutura 3D

Alvos associados (humanos)

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	Data	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

Solubilidade	Solubility in water: soluble; Solubility in other solvents: miscible with alcohol, ether and ethanol soluble in acetone
Sensibilidade	Moisture sensitive
Ponto de congelamento (°C)	13 °C
Índice de refração	1.4659
Ponto de inflamação (°C)	>112℃
Ponto de ebulição (°C)	193-194°C
Ponto de fusão (°C)	9.7°C
Peso molecular	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

Ácido dicloroacético - ≥99% , CAS No.79-43-6

Storage & shipping

Quality documents

Literature proof

Visão geral

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Avaliações dos Clientes

📚 Citations by Application

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