Consensus flow list

Identity

Type
Neutral molecule
CAS
108-85-0
EC
203-622-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Bromocyclohexane

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AQNQQHJNRPDOQV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
IUPAC name chemrof:IUPAC_name Bromocyclohexane
Molecular formula chemrof:molecular_formula C6H11Br
Molecular mass chemrof:molecular_mass 163.058
Monoisotopic mass chemrof:monoisotopic_mass 162.004412
SMILES string chemrof:smiles_string BrC1CCCCC1

Known URLs

9

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=108-85-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.294 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1044148 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=11207 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YA0UMS4RNY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.082B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7960 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82427 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bromocyclohexane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c52396d0-9c51-4c54-a26b-47f3d897008d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d1d81e18-ea09-40e7-a386-9442a086c885 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
daa10638-cd83-4498-8b1c-8f2218daf0c2 Environmental → Air → Indoor EF 3.1 kg 2
61201c95-4564-493d-a705-33dd81979b85 Environmental → Air → Long-term EF 3.1 kg 0
e0d9d3ce-d98e-40ed-b2b1-3a8cca2042f9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2e8c8598-fa70-46cf-a936-189215517faf Environmental → Air → Unknown EF 3.1 kg 2
7575916a-d3f4-48d4-9091-96cc7a1b1624 Environmental → Ground → Agricultural EF 3.1 kg 2
2622b5fe-7c0b-4fa1-8dd4-60bb327a9a16 Environmental → Ground → Non-agricultural EF 3.1 kg 2
93364f47-256f-4b72-82c1-3e61bdeca6e8 Environmental → Ground → Unknown EF 3.1 kg 2
6cebd022-14a4-4f9c-85dc-7503748fcd09 Environmental → Water → Long-term EF 3.1 kg 0
e58593bb-1a4f-4d38-9d93-fe5617c3d0dd Environmental → Water → Ocean EF 3.1 kg 2
4f2e4020-ee24-45dc-aaf5-6e4777e21f24 Environmental → Water → Surface water EF 3.1 kg 2
3d9822ea-ac29-4365-89a7-2ea41304ba41 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-dce5c85070164d8f",
  "prefLabel": [
    {
      "@value": "Bromocyclohexane",
      "@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-Bromocyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-85-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=108-85-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexane, bromo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-85-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=108-85-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=108-85-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
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      "@value": [
        "C6H11Br"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "provenance": [
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    },
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      ],
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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            "BrC1CCCCC1"
          ]
        }
      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2"
      ],
      "provenance": [
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          ]
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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": [
        163.058
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1CCC(CC1)Br"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "BrC1CCCCC1"
          ]
        }
      ],
      "attested_by": {
        "163.058": [
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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": [
        162.004412
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "BrC1CCCCC1"
          ]
        }
      ],
      "attested_by": {
        "162.004412": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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    },
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    },
    {
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  ],
  "created_from": {
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    "seed_uuid": "2622b5fe-7c0b-4fa1-8dd4-60bb327a9a16",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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