Consensus flow list

Identity

Type
NeutralMolecule
CAS
112-29-8
EC
203-955-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-bromodecane

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MYMSJFSOOQERIO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
IUPAC name chemrof:IUPAC_name 1-bromodecane
Molecular formula chemrof:molecular_formula C10H21Br
Molecular mass chemrof:molecular_mass 221.182
Monoisotopic mass chemrof:monoisotopic_mass 220.082663
SMILES string chemrof:smiles_string CCCCCCCCCCBr

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=112-29-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.596 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9051581 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8780 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3559832 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y2JDF9ZCB6 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.209D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8173 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q57981791 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bfc75ead-0ffb-4eb1-9e30-7cce23360056 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
db457b7b-ae9b-42b9-b11f-b87415abacef Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
46847447-0bc0-4477-8959-193c5d0097f5 Environmental → Air → Indoor EF 3.1 kg 2
2fa7844e-b6a8-45b7-9889-1de0b246cc42 Environmental → Air → Long-term EF 3.1 kg 0
3d2317e2-10ce-44e4-b7ce-ad7dbc9eaba9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d3a1b8e9-c477-494d-a2bc-5baa8f8c7af2 Environmental → Air → Unknown EF 3.1 kg 2
d896634c-dbef-45cc-8f2b-21be3b230aef Environmental → Ground → Agricultural EF 3.1 kg 2
bd28679b-a2f9-482f-abbc-5fad981b7e73 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5ea8f606-fcce-407d-a5eb-80f5a8611217 Environmental → Ground → Unknown EF 3.1 kg 2
dd947705-d0ad-4988-b2bd-19ee2bb3816c Environmental → Water → Long-term EF 3.1 kg 0
82186d41-67c9-4286-bbc7-6c16f5b6b8d5 Environmental → Water → Ocean EF 3.1 kg 2
5553ef1a-5bce-4696-989d-6cfee4fdc89b Environmental → Water → Surface water EF 3.1 kg 2
4fafb394-692f-4bc7-a6e3-4be6e8587853 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-6397ccc7a51ad95d",
  "prefLabel": [
    {
      "@value": "1-bromodecane",
      "@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-Decyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-29-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-29-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "10-Bromodecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-29-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-29-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decane, 1-bromo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-29-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-29-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-29-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-29-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Decyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-29-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-29-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H21Br"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCBr"
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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        },
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          "prov:hadPrimarySource": [
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCBr"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCBr": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCBr"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1-bromodecane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        221.182
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCBr"
          ]
        }
      ],
      "attested_by": {
        "221.182": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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": [
        220.082663
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCBr"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCBr"
          ]
        }
      ],
      "attested_by": {
        "220.082663": [
          "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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  ],
  "created_from": {
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    "seed_uuid": "2fa7844e-b6a8-45b7-9889-1de0b246cc42",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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