Consensus flow list

Pentachloronitrobenzene

fo-09c9a2e978b27301

Identity

Type
NeutralMolecule
CAS
82-68-8
EC
201-435-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pentachloronitrobenzene

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

39

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LKPLKUMXSAEKID-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
IUPAC name chemrof:IUPAC_name Pentachloronitrobenzene
Molecular formula chemrof:molecular_formula C6Cl5NO2
Molecular mass chemrof:molecular_mass 295.336
Monoisotopic mass chemrof:monoisotopic_mass 292.837167, 292.83717
SMILES string chemrof:smiles_string O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Known URLs

37

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
agr agr:IND86085618 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=82-68-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34908 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.305 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0745 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021105 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=58427 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL468759 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q37G40S4S8 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256248 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.869E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14338 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14338 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55045 enrich_references.pubchem_identifier_url
patent patent:US7629159 enrich_references.chebi_xrefs
pesticides pesticides:quintozene enrich_references.chebi_xrefs
ppdb ppdb:581 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6720 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166695 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18294675 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19298997 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19429557 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19959285 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20022079 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20131084 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20560598 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22074892 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22112041 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23454455 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23474338 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3311683 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7027636 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7445521 enrich_references.chebi_xrefs
reaxys reaxys:1914324 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q418683 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pentachloronitrobenzene enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
e2fb2bc8-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2d3-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
63fec9fb-2fd3-4bff-a632-7ec35a3ddee5 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2d2-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a2d4-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2d1-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2cf-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2d8-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
9b02f550e0901e6485ab1f4ac4edbb1065e1db63 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a2d0-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2d6-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a2d9-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2d5-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2d7-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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      }
    },
    {
      "@value": "Kobutol",
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        ],
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    },
    {
      "@value": "Korsikol",
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    },
    {
      "@value": "Marisan forte",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "nitropentachlorobenzene",
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      }
    },
    {
      "@value": "Pentachlornitrobenzol",
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      "@value": "Pentagen",
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      "@value": "Phomasan",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Plantacol",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=82-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinosan",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quintozen",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quintozene",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "RTU PCNB",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Terrachlor",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Terraclor",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Terraclor 30G",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Terrafun",
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