Consensus flow list

Identity

Type
Neutral molecule
CAS
1142-19-4
EC
214-531-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Bis(4-chlorophenyl) Disulphide

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZIXXRXGPBFMPFD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
IUPAC name chemrof:IUPAC_name Bis(4-chlorophenyl) Disulphide
Molecular formula chemrof:molecular_formula C12H8Cl2S2
Molecular mass chemrof:molecular_mass 287.236
Monoisotopic mass chemrof:monoisotopic_mass 285.944448
SMILES string chemrof:smiles_string Clc1ccc(SSc2ccc(Cl)cc2)cc1

Known URLs

12

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=1142-19-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.210 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7061562 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=32025 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=677444 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=823871 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL121019 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NMT539C7LN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.277J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14360 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=032820 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27284959 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
28712e1e-869f-4775-936b-8df54bd07a9f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fb152485-aeb8-4ab8-a6d4-5a561eecb97c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
369b1a7b-88c6-4395-b2b1-ac6fb757c053 Environmental → Air → Indoor EF 3.1 kg 2
35b717dd-c61e-4f5d-8a28-64cfa6c502a5 Environmental → Air → Long-term EF 3.1 kg 0
50bc4fb8-b7df-40d5-a9fc-8343c452890d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9eb264c9-13e7-476b-8699-b2dc554a7ff5 Environmental → Air → Unknown EF 3.1 kg 2
478cbbe6-01f3-4f13-adae-7a80fd459c8b Environmental → Ground → Agricultural EF 3.1 kg 2
1a2cf01d-73c0-448e-8a37-ffd54b802e53 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ce27fc02-794c-4c1e-ac49-d25286cd5979 Environmental → Ground → Unknown EF 3.1 kg 2
4aa4e606-58cf-4a90-9a11-d7232ef39593 Environmental → Water → Long-term EF 3.1 kg 0
14997add-83df-40a6-9e63-9e407eb26e6d Environmental → Water → Ocean EF 3.1 kg 2
74c7a616-ca9a-48e3-98bb-9d214d354094 Environmental → Water → Surface water EF 3.1 kg 2
27e82172-647a-44c9-915c-2f1ab8398d1e 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-6f0746dd06e31ebd",
  "prefLabel": [
    {
      "@value": "Bis(4-chlorophenyl) Disulphide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Bis(4-chlorophenyl)disulfane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1142-19-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Chloro-4-[(4-chlorophenyl)disulfanyl]benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1142-19-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Dichlorodiphenyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=1142-19-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorophenyl disulfide",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(4-chlorophenyl) disulfide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(p-chlorophenyl) disulfide",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Bis-(4-chlorobenzene)-disulfide",
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      }
    },
    {
      "@value": "DDDS",
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      }
    },
    {
      "@value": "DDDS (pesticide)",
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        ],
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      }
    },
    {
      "@value": "Di(4-chlorophenyl) disulfide",
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    {
      "@value": "Di(p-chlorophenyl) disulfide",
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      }
    },
    {
      "@value": "Disulfide, bis(4-chlorophenyl)",
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      }
    },
    {
      "@value": "Disulfide, bis(p-chlorophenyl)",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MCS (sulfide)",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "p,p′-Dichlorodiphenyl disulfide",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "p-Chlorophenyl disulfide",
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      "provenance": {
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H8Cl2S2"
      ],
      "attested_by": {
        "C12H8Cl2S2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        {
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          "prov:hadPrimarySource": [
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      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Clc1ccc(SSc2ccc(Cl)cc2)cc1"
      ],
      "provenance": [
        {
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        },
        {
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H"
      ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "attested_by": {
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    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      "provenance": [
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            "C1=CC(=CC=C1SSC2=CC=C(C=C2)Cl)Cl"
          ]
        },
        {
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      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "provenance": [
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        {
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      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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