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Tetrachlorocatechol

fo-143c9a24bc22084d

Identity

Type
Neutral molecule
CAS
1198-55-6
EC
621-298-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Tetrachlorocatechol

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RRBMVWQICIXSEO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
IUPAC name chemrof:IUPAC_name Tetrachlorocatechol
Molecular formula chemrof:molecular_formula C6H2Cl4O2
Molecular mass chemrof:molecular_mass 247.892
Monoisotopic mass chemrof:monoisotopic_mass 245.88089
SMILES string chemrof:smiles_string Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl

Known URLs

17

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
beilstein beilstein:1876366 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1198-55-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:26889 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.150.164 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4022151 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=29027 enrich_references.pubchem_identifier_url
gmelin gmelin:3937 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5REG09UJO0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.140G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18240 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18240 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54011 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14537 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=107802 enrich_references.pubchem_identifier_url
umbbd.compound umbbd.compound:c0735 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27109925 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tetrachlorocatechol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
010340b2-6799-4e0a-8547-789b219e3acc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a49079e8-47bf-4b7b-ac8a-24a9c191eaa6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
50e21b0b-02e5-43c8-9a07-d063771228aa Environmental → Air → Indoor EF 3.1 kg 2
07249f51-e435-4ac2-a325-b7a9e5fd2228 Environmental → Air → Long-term EF 3.1 kg 0
a4d3d718-2932-4fe6-9156-7ecf2a04007d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5c5a15f2-88db-4d09-b097-8bdd696d9d56 Environmental → Air → Unknown EF 3.1 kg 2
355a3065-5f0d-4f24-b5bf-30537de0edf6 Environmental → Ground → Agricultural EF 3.1 kg 2
18f38c41-38a5-40d3-9e8a-4cb2d272a080 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fbc5c2f7-d15b-459f-9ff1-00910dd1071b Environmental → Ground → Unknown EF 3.1 kg 2
eecd3c81-cead-4051-bb9a-a5b8fe4f73aa Environmental → Water → Long-term EF 3.1 kg 0
d6bc6fca-107c-448f-ada7-48e17680f60d Environmental → Water → Ocean EF 3.1 kg 2
960400a2-8210-4e39-8b05-1fcbbbae4b31 Environmental → Water → Surface water EF 3.1 kg 2
0e5b998e-ef5d-42e4-84f9-a9cf016517bc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-143c9a24bc22084d",
  "prefLabel": [
    {
      "@value": "Tetrachlorocatechol",
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  ],
  "altLabel": [
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    {
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    },
    {
      "@value": "3,4,5,6-Tetrachloro-1,2-dihydroxybenzene",
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      }
    },
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      "@value": "Perchloro-1,2-dihydroxyphenylene",
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    {
      "@value": "Pyrocatechol, tetrachloro-",
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    {
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}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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