Consensus flow list

Identity

Type
NeutralMolecule
CAS
111-25-1
EC
203-850-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-bromohexane

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MNDIARAMWBIKFW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
IUPAC name chemrof:IUPAC_name 1-bromohexane
Molecular formula chemrof:molecular_formula C6H13Br
Molecular mass chemrof:molecular_mass 165.074
Monoisotopic mass chemrof:monoisotopic_mass 164.020063
SMILES string chemrof:smiles_string CCCCCCBr

Known URLs

10

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=111-25-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.501 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021929 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=71206 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187491 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WVA0FAX7GA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.986K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8101 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3292844 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Bromohexane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f5ad1657-3f53-4f1d-bcf1-27270de48d0d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
994df4f7-a7a3-46c5-a786-e53290f1ef4b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7fa77111-917b-4b87-b1e3-4ea6d9756a75 Environmental → Air → Indoor EF 3.1 kg 2
8a505cfe-7530-4538-afb9-ac10451091dd Environmental → Air → Long-term EF 3.1 kg 0
d7bb3203-d964-4d90-baa2-099d7780b652 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f6264df1-eaeb-4c50-8e61-9481dece96da Environmental → Air → Unknown EF 3.1 kg 2
c8428a84-2673-4a4d-a552-de8bf853e769 Environmental → Ground → Agricultural EF 3.1 kg 2
8122cbce-a1a2-4955-83c1-8eecbead14cc Environmental → Ground → Non-agricultural EF 3.1 kg 2
264d56aa-bc90-49db-8080-57a7f179ca4e Environmental → Ground → Unknown EF 3.1 kg 2
a29b2d64-d288-4f66-ab05-2a00f18b003a Environmental → Water → Long-term EF 3.1 kg 0
34c22b59-ba97-46e1-a310-48a0ef67977b Environmental → Water → Ocean EF 3.1 kg 2
0b997030-76f9-40d3-b32c-f01a01880872 Environmental → Water → Surface water EF 3.1 kg 2
079bfa82-e048-43e3-8f1c-d84f4ec28f9e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7d246562832279cc",
  "prefLabel": [
    {
      "@value": "1-bromohexane",
      "@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-Hexane bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111-25-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=111-25-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Hexylbromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111-25-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=111-25-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexane, 1-bromo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111-25-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=111-25-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=111-25-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Hexyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C6H13Br"
      ],
      "attested_by": {
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      },
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    },
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      ],
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "provenance": [
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        },
        {
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          ]
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      ],
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "165.074": [
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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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      ],
      "provenance": [
        {
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "164.020063": [
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  "@type": [
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}

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