Consensus flow list

Identity

Type
Molecular complex
CAS
15217-42-2
EC
239-269-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium Benzotriazol-1-ide

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BMOKHTQIBPRXSL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5N3.Na/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H,(H,7,8,9);
IUPAC name chemrof:IUPAC_name 1,2,3-Benzotriazole sodium salt
Molecular formula chemrof:molecular_formula C6H5N3Na
Molecular mass chemrof:molecular_mass 142.117
Monoisotopic mass chemrof:monoisotopic_mass 142.038116
SMILES string chemrof:smiles_string [Na].c1ccc2[nH]nnc2c1

Known URLs

2

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=15217-42-2 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53446015 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
968c0cd9-f1ca-4839-a002-dc0e5f8b3724 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8ad1736d-dff0-407f-ab07-06af16aa3e92 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e53c42d3-4f6e-4d71-9483-b690e58eed93 Environmental → Air → Indoor EF 3.1 kg 4
d38a525a-a4f0-4392-adac-26ce0ab678a4 Environmental → Air → Long-term EF 3.1 kg 0
694481ad-2e1e-4fc7-b3bd-e1f3f90f8380 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9f1c1e5c-9964-401d-ba77-9cfe44bf05b8 Environmental → Air → Unknown EF 3.1 kg 4
ac7f2588-fbf9-4dbb-9003-6998df4d1475 Environmental → Ground → Agricultural EF 3.1 kg 4
f2f190e7-13c1-4d10-9e6f-ffa869388603 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a15bd1e3-92d7-4756-b1c5-a48417d1ef46 Environmental → Ground → Unknown EF 3.1 kg 4
a34e32a8-0cde-410a-aab2-4c1a6d6463e4 Environmental → Water → Long-term EF 3.1 kg 0
2c22cefd-3678-492b-8de7-c8858acdfe20 Environmental → Water → Ocean EF 3.1 kg 4
46051dc4-8fb7-475a-822b-b88cbc6fbbaa Environmental → Water → Surface water EF 3.1 kg 4
fb0e8b76-aefc-484b-a798-3fa6ab0de977 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f7cb54dba234c12e",
  "prefLabel": [
    {
      "@value": "Sodium Benzotriazol-1-ide",
      "@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": "1,2,3-Benzotriazole sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15217-42-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15217-42-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H-Benzotriazole, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H-Benzotriazole, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15217-42-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzotriazole sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ChemWorld 506",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium benzotriazolate",
      "@language": "en",
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    },
    {
      "@value": "Sodium benzotriazole",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Wintrol B 40NA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C6H5N3Na"
      ],
      "attested_by": {
        "C6H5N3Na": [
          "enrich_references.pubchem_semantic",
          "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": [
            "[Na].c1ccc2[nH]nnc2c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BMOKHTQIBPRXSL-UHFFFAOYSA-N"
      ],
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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": [
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "[Na].c1ccc2[nH]nnc2c1": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H5N3.Na/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H,(H,7,8,9);"
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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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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        142.117
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC2=NNN=C2C=C1.[Na]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus",
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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",
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      ],
      "provenance": [
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        },
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    },
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      "rdfs:label": "IUPAC name",
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  },
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        "prov:wasDerivedFrom": "pubchem.by_cas[15217-42-2]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2c22cefd-3678-492b-8de7-c8858acdfe20",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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