8,9,10-trinorborna-2,5-diene

2,5-Norbornadiene
3,6-Methano-1,4-cyclohexadiene
Bicyclo[2.2.1]hepta-2,5-diene
Bicyclo[2.2.1]heptadiene
Norbornadiene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SJYNFBVQFBRSIB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
IUPAC name chemrof:IUPAC_name	bicyclo[2.2.1]hepta-2,5-diene
Molecular formula chemrof:molecular_formula	C7H8
Molecular mass chemrof:molecular_mass	92.141
Monoisotopic mass chemrof:monoisotopic_mass	92.0626
SMILES string chemrof:smiles_string	C1C2C=CC1C=C2

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=121-46-0	enrich_references.consensus_cas_link
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=16422-76-7	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=27859-77-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.004.066	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1059523	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=13672	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=167540	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W9ZTQ75ZUS	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.833D	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J398.207F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8473	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2251	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q726795	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Norbornadiene	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e8c3c816-08e5-4cf0-83b2-eace873f2549	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
eb91dcca-0eee-4ff7-86a2-99d9faba3417	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7961406e-67a7-4edf-9bdb-c1ed56d9a4d7	Environmental → Air → Indoor	EF 3.1	kg	2
153756f4-bda8-4aba-aa36-d5f031b7b0b2	Environmental → Air → Long-term	EF 3.1	kg	0
3c840698-8698-4893-b244-c258b084f63b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
e33de519-2558-400b-b905-e732fac15b36	Environmental → Air → Unknown	EF 3.1	kg	2
925f22f6-79e7-4b20-b3f3-0a979e643f58	Environmental → Ground → Agricultural	EF 3.1	kg	2
de59bb23-1607-4c13-914b-abe16134aa55	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e76ccde6-7dab-446b-a3f7-324c554a4ca5	Environmental → Ground → Unknown	EF 3.1	kg	2
b68fc551-4a7c-454e-8d46-c3cfd57e6412	Environmental → Water → Long-term	EF 3.1	kg	0
d75ae9df-3e8f-418e-b28e-a1664f28e912	Environmental → Water → Ocean	EF 3.1	kg	2
b6ddfb1d-e12c-48c3-a6f9-b253c9e0a0c0	Environmental → Water → Surface water	EF 3.1	kg	2
f5a87649-589a-4b20-9d9e-9899777d9a83	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-cc43dc0f76a1a52b",
  "prefLabel": [
    {
      "@value": "8,9,10-trinorborna-2,5-diene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,5-Norbornadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:121-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,6-Methano-1,4-cyclohexadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:121-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicyclo[2.2.1]hepta-2,5-diene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:121-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicyclo[2.2.1]heptadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:121-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Norbornadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:121-46-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-46-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H8"
      ],
      "attested_by": {
        "C7H8": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:8473"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1C2C=CC1C=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SJYNFBVQFBRSIB-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "SJYNFBVQFBRSIB-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:8473"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1C2C=CC1C=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1C2C=CC1C=C2"
      ],
      "attested_by": {
        "C1C2C=CC1C=C2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:8473"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1C2C=CC1C=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2"
      ],
      "attested_by": {
        "InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:8473"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1C2C=CC1C=C2"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "bicyclo[2.2.1]hepta-2,5-diene"
      ],
      "attested_by": {
        "bicyclo[2.2.1]hepta-2,5-diene": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        92.141
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1C2C=CC1C=C2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1C2C=CC1C=C2"
          ]
        }
      ],
      "attested_by": {
        "92.141": [
          "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": [
        92.0626
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1C2C=CC1C=C2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1C2C=CC1C=C2"
          ]
        }
      ],
      "attested_by": {
        "92.0626": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.833D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J398.207F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.004.066",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=121-46-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "121-46-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=16422-76-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=27859-77-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1059523",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=13672",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=167540",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Norbornadiene",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W9ZTQ75ZUS",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/8473",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[121-46-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2251",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q726795",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:8473;CAS:121-46-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[121-46-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "153756f4-bda8-4aba-aa36-d5f031b7b0b2",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "121-46-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=121-46-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=121-46-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "204-472-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-472-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

8,9,10-trinorborna-2,5-diene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard