Consensus flow list

Identity

Type
Neutral molecule
CAS
18282-59-2
EC
242-160-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4-bromo-1,2-dichlorobenzene

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CFPZDVAZISWERM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H
IUPAC name chemrof:IUPAC_name 4-bromo-1,2-dichlorobenzene
Molecular formula chemrof:molecular_formula C6H3BrCl2
Molecular mass chemrof:molecular_mass 225.9
Monoisotopic mass chemrof:monoisotopic_mass 223.879518
SMILES string chemrof:smiles_string Clc1ccc(Br)cc1Cl

Known URLs

7

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=18282-59-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.312 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2066353 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XE64D7GD53 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.736E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/29013 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72454089 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6b9c51ea-3ff5-4cd0-8801-a3ef7c3616d7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bb692aa2-60b3-4eaf-a213-9edf618a36de Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
680f718d-1959-46b6-823f-a8a21905601a Environmental → Air → Indoor EF 3.1 kg 2
53ffe68e-38a9-440b-9bd1-1cc73041c259 Environmental → Air → Long-term EF 3.1 kg 0
d2da9d75-acf9-4d93-9437-17976c42c628 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d0f2d788-4e67-471c-9fb7-0533697c5f6f Environmental → Air → Unknown EF 3.1 kg 2
25c177fc-6440-45f4-a43f-69325661dc5c Environmental → Ground → Agricultural EF 3.1 kg 2
83654f4e-2a12-44f8-8e1a-b0f1d78ec9fd Environmental → Ground → Non-agricultural EF 3.1 kg 2
ce34bddb-5843-4a65-8fb2-728332f66edb Environmental → Ground → Unknown EF 3.1 kg 2
9a3b68f3-f308-498a-859e-d58b5d246fc1 Environmental → Water → Long-term EF 3.1 kg 0
ba11c9f1-06f7-41ec-a9e7-efb28b87dce5 Environmental → Water → Ocean EF 3.1 kg 2
8c3e808a-95ab-4833-a73a-e526facba250 Environmental → Water → Surface water EF 3.1 kg 2
e9feb855-8fbe-40b1-9825-a5f1d2f9deba Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-91f5f5ed2de72065",
  "prefLabel": [
    {
      "@value": "4-bromo-1,2-dichlorobenzene",
      "@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": "1,2-Dichloro-4-bromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18282-59-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18282-59-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Bromo-3,4-chlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18282-59-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18282-59-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Bromo-3,4-dichlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=18282-59-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dichloro-1-bromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dichlorobromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dichlorophenyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 4-bromo-1,2-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C6H3BrCl2"
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      "attested_by": {
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      },
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    },
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      "rdfs:label": "InChIKey",
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
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        },
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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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/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H"
      ],
      "provenance": [
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      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        225.9
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C=C1Br)Cl)Cl"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccc(Br)cc1Cl"
          ]
        }
      ],
      "attested_by": {
        "225.9": [
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
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        },
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      ],
      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
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  "created_from": {
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    "semantic_typing": {
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  "parent_flow_object_id": null,
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  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
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}

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