Consensus flow list

Identity

Type
Neutral molecule
CAS
107934-68-9
EC
407-560-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CIZUMWWHWPJAAK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2
IUPAC name chemrof:IUPAC_name 4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)
Molecular formula chemrof:molecular_formula C25H18Cl2N2
Molecular mass chemrof:molecular_mass 417.339
Monoisotopic mass chemrof:monoisotopic_mass 416.084704
SMILES string chemrof:smiles_string Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl

Known URLs

6

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=107934-68-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.904 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60619152 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.782.157H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21872159 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72444602 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
20851f64-ef21-4221-a40a-30c391ad9623 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
89fce03c-8dc3-4bb3-8fda-f4c128a73f6c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ac8ffabe-7c21-435f-8a8e-5dabb1fa85ac Environmental → Air → Indoor EF 3.1 kg 4
68767bf4-618f-407d-ae6d-aa9ddbaf21a4 Environmental → Air → Long-term EF 3.1 kg 0
d60635e3-6527-499c-8820-6071275be11f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9decb6fe-549a-4583-bd2b-335871fd0979 Environmental → Air → Unknown EF 3.1 kg 4
dd4d27b2-283c-4bfb-be8a-0d6754c6f304 Environmental → Ground → Agricultural EF 3.1 kg 4
7650b48c-ef0d-4d18-9284-fbd2371dd162 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4163176c-61c2-4557-93f7-9a4d2e0447ea Environmental → Ground → Unknown EF 3.1 kg 4
7b396827-f100-4552-b7c4-d756ce875b2b Environmental → Water → Long-term EF 3.1 kg 0
9d51a640-bf56-4ed8-b958-bcea7a3e5da1 Environmental → Water → Ocean EF 3.1 kg 4
91a00b9e-8a04-49d9-a194-e19fc26fb98a Environmental → Water → Surface water EF 3.1 kg 4
1d8488d8-306d-4c19-9a14-436e1b5bc200 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f01bdb4a1a501f6e",
  "prefLabel": [
    {
      "@value": "4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)",
      "@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": "4,4′-(9H-Fluoren-9-ylidene)bis[2-chlorobenzenamine]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107934-68-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9,9-Bis(3-chloro-4-aminophenyl)-9H-fluorene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:107934-68-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9,9-Bis(3-chloro-4-aminophenyl)fluorene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=107934-68-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9,9-Bis(4-amino-3-chlorophenyl)fluorene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4,4′-(9H-fluoren-9-ylidene)bis[2-chloro-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Lonzacure CAF",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C25H18Cl2N2"
      ],
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        ]
      },
      "rdfs:label": "Molecular formula",
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        },
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        "CIZUMWWHWPJAAK-UHFFFAOYSA-N"
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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/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2"
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4,4'-(9h-fluorene-9,9-diyl)bis(2-chloroaniline)"
      ],
      "provenance": {
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        ]
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    "https://w3id.org/chemrof/molecular_mass": {
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          ]
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          ]
        }
      ],
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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          ]
        },
        {
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            "Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl"
          ]
        }
      ],
      "attested_by": {
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        ]
      },
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  },
  "references": [
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}

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