Consensus flow list

Identity

Type
Neutral molecule
CAS
95-82-9
EC
202-455-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,5-dichloroaniline

Alternative labels

45

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AVYGCQXNNJPXSS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
IUPAC name chemrof:IUPAC_name 2,5-dichloroaniline
Molecular formula chemrof:molecular_formula C6H5Cl2N
Molecular mass chemrof:molecular_mass 162.019
Monoisotopic mass chemrof:monoisotopic_mass 160.9799, 160.979905
SMILES string chemrof:smiles_string Nc1cc(Cl)ccc1Cl

Known URLs

20

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=95-82-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34245 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.233 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0142 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6024967 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1492 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1406206 enrich_references.pubchem_identifier_url
gmelin gmelin:601975 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7U61VY7POL enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.171K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14712 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14712 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54949 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7262 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1590 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3442 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/1276995 enrich_references.chebi_xrefs
reaxys reaxys:1447438 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2104833 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,5-Dichloroaniline enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d5f853f2-719f-4b8e-9170-c7ba10026b92 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
417a641f-9435-43c3-9a94-b52de4e0ec16 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
badbe140-7c5a-4a69-900c-0d44b0127d36 Environmental → Air → Indoor EF 3.1 kg 2
ac792d1e-cf5b-4fc3-9e1c-a00a2f9cc9f2 Environmental → Air → Long-term EF 3.1 kg 0
909efd6c-87ae-4da5-8480-afe6e9c76260 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4b9b7e18-8681-4716-96a2-f59344eabe15 Environmental → Air → Unknown EF 3.1 kg 2
f914d7cf-0e5f-4c3e-bcc8-af992e0abbcd Environmental → Ground → Agricultural EF 3.1 kg 2
a8dc1a45-eb9a-4380-bc49-1c8f27425875 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4c9b4408-7f4d-4671-8c31-419ea5104331 Environmental → Ground → Unknown EF 3.1 kg 2
2c7e1e04-80e0-49d4-bdaa-073daec053c4 Environmental → Water → Long-term EF 3.1 kg 0
ea464a1c-c2c9-46fa-80ae-7ef43fe594be Environmental → Water → Ocean EF 3.1 kg 2
12274aae-178a-4d61-a784-4b35dda9821d Environmental → Water → Surface water EF 3.1 kg 2
5fff2339-d917-422f-9dcd-116fa04f264d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-85553fcea2955683",
  "prefLabel": [
    {
      "@value": "2,5-dichloroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-2,5-dichlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34245"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-DCA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34245"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-Dichloranilin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34245"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-dichloro-1-aminobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_34245"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-dichlorobenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_34245"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-dichlorobenzeneamine",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,5-Dichlorophenylamine",
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    },
    {
      "@value": "2-amino-1,4-dichlorobenzene",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Amarthol Fast Scarlet GG Base",
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    {
      "@value": "Aniline, 2,5-dichloro-",
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    {
      "@value": "Azobase DCA",
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    },
    {
      "@value": "Azoene Fast Scarlet 2G Base",
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    },
    {
      "@value": "Azogene Fast Scarlet GGC",
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    },
    {
      "@value": "Benzenamine, 2,5-dichloro-",
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    },
    {
      "@value": "Daito Scarlet Base GG",
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      }
    },
    {
      "@value": "Devol Scarlet 2GS Base",
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        ],
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      }
    },
    {
      "@value": "Fast Red SGG Base",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fast Scarlet 2G",
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    },
    {
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    },
    {
      "@value": "Fast Scarlet Base 2JS",
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      }
    },
    {
      "@value": "Fast Scarlet Base GGT",
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    },
    {
      "@value": "Fast Scarlet DS Base",
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      }
    },
    {
      "@value": "Fast Scarlet GG Base",
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    },
    {
      "@value": "Fast Scarlet GGS Base",
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    },
    {
      "@value": "Fast Scarlet MDC Base",
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      }
    },
    {
      "@value": "Hiltonil Fast Scarlet 2G Base",
      "@language": "en",
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    },
    {
      "@value": "Hiltonil Fast Scarlet 2GS Base",
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    },
    {
      "@value": "Hindamine Scarlet GG",
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    {
      "@value": "Kambamine Scarlet GG Base",
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    },
    {
      "@value": "Kayaku Scarlet GG Base",
      "@language": "en",
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    },
    {
      "@value": "Lake Scarlet GG Base",
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    },
    {
      "@value": "Mitsui Scarlet GG Base",
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    {
      "@value": "Naphthanil Scarlet 2G Base",
      "@language": "en",
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    },
    {
      "@value": "Naphtoelan Fast Scarlet GG Base",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Natasol Scarlet GG Salt",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Sanyo Fast Scarlet GG Base",
      "@language": "en",
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          "http://purl.obolibrary.org/obo/CHEBI_34245"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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