dichloroacetic acid (Q412845)

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chemical compound

• DCA
• dichloracetic acid
• dichloroacetate
• 2,2-dichloroacetic acid
• bichloracetic acid
• Dichloroacetic Acid

edit

Sprache	Label	Description	Also known as
Englisch	dichloroacetic acid	chemical compound	DCA dichloracetic acid dichloroacetate 2,2-dichloroacetic acid bichloracetic acid Dichloroacetic Acid

Statements

instance of

type of chemical entity

0 references

subclass of

halogenated fatty acids

0 references

chemical structure

Dichloroacetic-acid-2D-skeletal.svg
434 × 352; 5 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

127.943 dalton

1 reference

stated in

PubChem

PubChem CID

6597

language of work or name

Englisch

title

DICHLOROACETIC ACID (English)

retrieved

19 October 2016

conjugate base

dichloroacetate

0 references

chemical formula

C₂H₂Cl₂O₂

1 reference

stated in

PubChem

PubChem CID

6597

language of work or name

Englisch

title

DICHLOROACETIC ACID (English)

retrieved

20 November 2016

canonical SMILES

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

1 reference

stated in

PubChem

PubChem CID

6597

language of work or name

Englisch

title

DICHLOROACETIC ACID (English)

retrieved

20 November 2016

melting point

10 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

13.5 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

pKa

1.30

1 reference

stated in

Binas (2nd edition)

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

NFPA Health

3

NFPA Fire

1

NFPA Instability

0

NFPA Special

no value

1 reference

imported from Wikimedia project

English Wikipedia

found in taxon

Asparagopsis taxiformis

1 reference

stated in

Halogenated acetic and acrylic acids from the red alga Asparagopsis taxiformis

subject has role

male reproductive toxicant

start time

7 August 2009

1 reference

stated in

California Proposition 65 list of chemicals

retrieved

24 February 2020

reference URL

https://oehha.ca.gov/chemicals/dichloroacetic-acid

developmental toxicant

start time

7 August 2009

1 reference

stated in

California Proposition 65 list of chemicals

retrieved

25 February 2020

reference URL

https://oehha.ca.gov/chemicals/dichloroacetic-acid

carcinogen

1 reference

stated in

California Proposition 65 list of chemicals

retrieved

25 February 2020

reference URL

https://oehha.ca.gov/chemicals/dichloroacetic-acid

has part(s)

oxygen

0 references

carbon

0 references

chlorine

0 references

Commons category

Dichloroacetic acid

0 references

Identifiers

InChI

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

1 reference

stated in

PubChem

PubChem CID

6597

language of work or name

Englisch

title

DICHLOROACETIC ACID (English)

retrieved

20 November 2016

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

6597

language of work or name

Englisch

title

DICHLOROACETIC ACID (English)

retrieved

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

79-43-6

2 references

stated in

Global Substance Registration System

UNII

9LSH52S3LQ

language of work or name

Englisch

title

dichloroacetic acid (English)

retrieved

20 November 2016

stated in

CAS Common Chemistry

retrieved

7 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=79-43-6

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

ChemSpider ID

10771217

1 reference

stated in

ChemSpider

ChemSpider ID

10771217

language of work or name

Englisch

title

Dichloroacetic acid (English)

retrieved

20 November 2016

PubChem CID

6597

2 references

stated in

PubChem

PubChem CID

6597

language of work or name

Englisch

title

DICHLOROACETIC ACID (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

Reaxys registry number

1098596

1 reference

stated in

ChEBI

ChEBI ID

36386

language of work or name

Englisch

title

dichloroacetic acid (English)

retrieved

19 October 2016

Gmelin number

2477

0 references

ChEBI ID

36386

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL13960

language of work or name

Englisch

title

DICHLOROACETIC ACID (English)

retrieved

20 November 2016

matched by identifier from

International Chemical Identifier

InChI

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

ChEMBL ID

CHEMBL13960

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL13960

language of work or name

Englisch

title

DICHLOROACETIC ACID (English)

retrieved

20 November 2016

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

retrieved

8 February 2021

UniChem compound ID

10177

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Keio_Univ-KO000569

0 references

MSBNK-Keio_Univ-KO000570

0 references

MSBNK-Keio_Univ-KO000571

0 references

MSBNK-Keio_Univ-KO000572

0 references

MSBNK-Keio_Univ-KO000573

0 references

MSBNK-Keio_Univ-KO000684

0 references

MSBNK-Keio_Univ-KO000685

0 references

MSBNK-Keio_Univ-KO000686

0 references

MSBNK-Keio_Univ-KO000687

0 references

MSBNK-Keio_Univ-KO000688

0 references

SPLASH

splash10-001i-9000000000-cdde3faa793ecb51af1b

0 references

splash10-001i-9000000000-c1ded91474fde2787d95

0 references

splash10-0019-9000000000-cea4fe3c3f1653aa150d

0 references

splash10-000i-9000000000-68d75216c4534c61a4b4

0 references

splash10-0059-6900000000-55338ed4fe8335b6f8ba

0 references

splash10-001i-9000000000-d0c2081f59cf4a1d9bb9

0 references

splash10-001i-9000000000-aa8cfce9c157e8ce5c26

0 references

splash10-0019-9000000000-d0fd266005ba1e11af9f

0 references

splash10-000i-9000000000-67e8e2a12579c484a9d1

0 references

NMRShiftDB structure ID

10016785

1 reference

matched by identifier from

InChIKey

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

ICSC ID

0868

0 references

CAMEO Chemicals ID

532

0 references

RTECS number

AG6125000

1 reference

imported from Wikimedia project

English Wikipedia

ZVG number

24970

1 reference

imported from Wikimedia project

German Wikipedia

HSDB ID

6894

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

6894

publication date

28 October 2019

title

Dichloroacetic acid (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID2020428

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID20428

0 references

NSC number

2654

0 references

EC number

201-207-0

1 reference

stated in

Global Substance Registration System

UNII

9LSH52S3LQ

language of work or name

Englisch

title

dichloroacetic acid (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.001.098

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.098

retrieved

27 December 2018

title

Dichloroacetic acid (English)

quotation

CAS no.: 79-43-6 (English)

PesticideInfo chemical ID

PRI2599

0 references

UM-BBD compound ID

c0012

0 references

AICS Chemical ID (BEING DELETED)

1123

0 references

MeSH descriptor ID

D003999

subject named as

Dichloroacetic Acid

0 references

MeSH tree code

D02.241.081.018.214.500

0 references

D02.455.526.439.196.500

0 references

RxNorm ID

155021

1 reference

stated in

Global Substance Registration System

UNII

9LSH52S3LQ

language of work or name

Englisch

title

dichloroacetic acid (English)

retrieved

20 November 2016

DrugBank ID

DB08809

1 reference

matched by identifier from

InChIKey

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

UNII

9LSH52S3LQ

2 references

stated in

Global Substance Registration System

UNII

9LSH52S3LQ

language of work or name

Englisch

title

dichloroacetic acid (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

NDF-RT ID

N0000147360

1 reference

stated in

Global Substance Registration System

UNII

9LSH52S3LQ

language of work or name

Englisch

title

dichloroacetic acid (English)

retrieved

20 November 2016

Probes And Drugs ID

PD003025

0 references

DrugCentral ID

862

1 reference

stated in

UniChem

KEGG ID

C11149

1 reference

imported from Wikimedia project

English Wikipedia

LIPID MAPS ID

LMFA01090070

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

PDB ligand ID

TF4

0 references

CA PROP 65 ID

dichloroacetic-acid

1 reference

stated in

California Proposition 65 list of chemicals

retrieved

12 December 2019

reference URL

https://oehha.ca.gov/chemicals/dichloroacetic-acid

Freebase ID

/m/08jmfn

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

HCIS ID

1267

0 references

KBpedia ID

DichloroaceticAcid

1 reference

stated in

KBpedia

retrieved

9 July 2020

Microsoft Academic ID

2777616060

0 references

2909840573

0 references

OpenAlex ID

C2777616060

1 reference

stated in

OpenAlex

retrieved

26 January 2022

reference URL

https://docs.openalex.org/download-snapshot/snapshot-data-format

OSHA Occupational Chemical Database ID

695

0 references

PDB structure ID

2BU8

1 reference

stated in

Protein Data Bank

PDB structure ID

2BU8

language of work or name

Englisch

title

2BU8 (English)

retrieved

19 October 2016

2Q8H

1 reference

stated in

Protein Data Bank

PDB structure ID

2Q8H

language of work or name

Englisch

title

2Q8H (English)

retrieved

19 October 2016

Römpp online ID

RD-04-01248

1 reference

imported from Wikimedia project

German Wikipedia

UMLS CUI

C0600203

1 reference

stated in

Global Substance Registration System

UNII

9LSH52S3LQ

language of work or name

Englisch

title

dichloroacetic acid (English)

retrieved

20 November 2016

 

Sitelinks

Wikipedia(25 entries)

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• azbwiki دیکولورواستیک اسید
• cawiki Àcid dicloroacètic
• dewiki Dichloressigsäure
• enwiki Dichloroacetic acid
• eowiki Dukloroacetata acido
• eswiki Ácido dicloroacético
• fawiki دی‌کلرواستیک اسید
• fiwiki Dikloorietikkahappo
• frwiki Acide dichloroacétique
• hiwiki डाइक्लोरोएसिटिक अम्ल
• hrwiki Kloroctena kiselina
• idwiki Asam dikloroasetat
• itwiki Acido dicloroacetico
• jawiki ジクロロ酢酸
• kowiki 다이클로로아세트산
• nlwiki Dichloorazijnzuur
• nowiki Dikloretansyre
• plwiki Kwas dichlorooctowy
• ptwiki Ácido dicloroacético
• rowiki Acid dicloroacetic
• ruwiki Дихлоруксусная кислота
• shwiki Dihloroasirćetna kiselina
• srwiki Dihloroasirćetna kiselina
• svwiki Diklorättiksyra
• zhwiki 二氯乙酸

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(1 entry)

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• commonswiki Category:Dichloroacetic acid

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