Consensus flow list

Identity

Type
NeutralMolecule
CAS
693-58-3
EC
211-755-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-bromononane

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AYMUQTNXKPEMLM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
IUPAC name chemrof:IUPAC_name 1-bromononane
Molecular formula chemrof:molecular_formula C9H19Br
Molecular mass chemrof:molecular_mass 207.155
Monoisotopic mass chemrof:monoisotopic_mass 206.067013
SMILES string chemrof:smiles_string CCCCCCCCCBr

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=693-58-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.688 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7049348 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5519 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188426 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/44KET59TTZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J537A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12742 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q57981774 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a540f54b-cb3c-453e-854f-9b65e1a2cebb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
781f6397-15bc-4313-bfdf-5ce7cab1ed05 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cf108d96-6bd0-424e-a56a-88fe6d7fc618 Environmental → Air → Indoor EF 3.1 kg 2
51ccf132-d118-4581-b2b8-da6bff0b6a2f Environmental → Air → Long-term EF 3.1 kg 0
f7f46244-e4e8-441d-b7c5-ab0cbe3bc9ff Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6d5921fa-fdd1-4832-b293-693c9927f3f1 Environmental → Air → Unknown EF 3.1 kg 2
1f7532a1-3aa5-4908-80a5-f26b23a13007 Environmental → Ground → Agricultural EF 3.1 kg 2
5f675d99-b655-4708-aeee-10cca47737c2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
88b49f68-a51f-4e54-a7f5-2994ab890f01 Environmental → Ground → Unknown EF 3.1 kg 2
1e308063-0e23-4add-a01e-29f08c79ae7d Environmental → Water → Long-term EF 3.1 kg 0
9e2bb34a-bb71-40b9-8369-216d36883edc Environmental → Water → Ocean EF 3.1 kg 2
8dacd1ba-c8eb-4d49-b809-0fae7c734b41 Environmental → Water → Surface water EF 3.1 kg 2
4247dd41-74de-42d1-a2be-e78a20691cb9 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-7d555b9dc8262af1",
  "prefLabel": [
    {
      "@value": "1-bromononane",
      "@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-Bromo-n-nonane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:693-58-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-58-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-n-Nonyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=693-58-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Nonyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=693-58-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Nonyl bromide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=693-58-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nonane, 1-bromo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nonyl bromide",
      "@language": "en",
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      "provenance": {
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        ],
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    }
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        }
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    },
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "provenance": [
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        },
        {
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        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      ],
      "provenance": [
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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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      "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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        },
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        }
      ],
      "attested_by": {
        "207.155": [
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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": {
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        ]
      },
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}

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