Sodium 4(or5)-methylbenzotriazol-1-ate

1H-Benzotriazole, 4(or 5)-methyl-, sodium salt
1H-Benzotriazole, 6(or 7)-methyl-, sodium salt (1:1)
Cobratec 85
Cobratec TT 50S
Cobratec TT 85
Methylbenzotriazole sodium salt
Sodium tolyltriazole
Tolyltriazole sodium salt
Wintrol T 50
Wintrol T 50NA

Property	Value
InChI2D key string chemrof:inchi2d_key_string	HFIWDRSVHKBEPU-UHFFFAOYSA-N, MZYJTGAKINADSU-UHFFFAOYSA-N, REERYFLJRPUSHT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H9N3.Na/c1-7-2-4-8(5-3-7)9-6-10-12-11-9;/h2-6H,1H3,(H,10,11,12);
IUPAC name chemrof:IUPAC_name	Sodium tolyltriazole
Molecular formula chemrof:molecular_formula	C7H6N3Na, C9H8N3Na, C9H9N3Na
SMILES string chemrof:smiles_string	Cc1ccc(-c2c[nH]nn2)cc1.[Na]

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=64665-57-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.059.077	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/27034S05ER	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/23687327	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/57352093	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/91873310	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27254142	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
838cb53e-5483-4a2e-a4fb-3a4f6e44f28b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
9ebe37be-4952-4c00-b25c-31486b36af51	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
7a8c1d02-e5aa-4e00-9710-b96b57e2fa64	Environmental → Air → Indoor	EF 3.1	kg	4
d5a8cae0-90e6-4101-b212-6c0cb6c2fc89	Environmental → Air → Long-term	EF 3.1	kg	0
82b320eb-173e-4205-ad24-72c4c74ef7a2	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
21f7ef53-12a5-4517-9fdb-6c7852846006	Environmental → Air → Unknown	EF 3.1	kg	4
ac314567-e36a-4a69-8f60-82751f30d8c8	Environmental → Ground → Agricultural	EF 3.1	kg	4
7265e3fc-e56a-4649-824e-633b06cbc78f	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3c73c093-7f89-481a-bf2b-27e265707400	Environmental → Ground → Unknown	EF 3.1	kg	4
c7d03353-931f-4a08-8238-f9b7abd756c1	Environmental → Water → Long-term	EF 3.1	kg	0
146baf47-3d72-46d1-9cfe-3ce0d262292a	Environmental → Water → Ocean	EF 3.1	kg	4
07547d00-551f-46fe-85be-128a562f02c2	Environmental → Water → Surface water	EF 3.1	kg	4
f13a9b81-6506-4941-8188-786d90b7e39f	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-730cb867cf178fe8",
  "prefLabel": [
    {
      "@value": "Sodium 4(or5)-methylbenzotriazol-1-ate",
      "@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": "1H-Benzotriazole, 4(or 5)-methyl-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H-Benzotriazole, 6(or 7)-methyl-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cobratec 85",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cobratec TT 50S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cobratec TT 85",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylbenzotriazole sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium tolyltriazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tolyltriazole sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Wintrol T 50",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Wintrol T 50NA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:64665-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H6N3Na",
        "C9H8N3Na",
        "C9H9N3Na"
      ],
      "attested_by": {
        "C7H6N3Na": [
          "enrich_references.pubchem_semantic"
        ],
        "C9H8N3Na": [
          "enrich_references.pubchem_semantic"
        ],
        "C9H9N3Na": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:23687327",
            "CID:57352093",
            "CID:91873310"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(-c2c[nH]nn2)cc1.[Na]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HFIWDRSVHKBEPU-UHFFFAOYSA-N",
        "MZYJTGAKINADSU-UHFFFAOYSA-N",
        "REERYFLJRPUSHT-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "HFIWDRSVHKBEPU-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "MZYJTGAKINADSU-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "REERYFLJRPUSHT-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:23687327",
            "CID:57352093",
            "CID:91873310"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(-c2c[nH]nn2)cc1.[Na]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1ccc(-c2c[nH]nn2)cc1.[Na]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium tolyltriazole"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(-c2c[nH]nn2)cc1.[Na]"
          ]
        }
      ],
      "attested_by": {
        "Cc1ccc(-c2c[nH]nn2)cc1.[Na]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H9N3.Na/c1-7-2-4-8(5-3-7)9-6-10-12-11-9;/h2-6H,1H3,(H,10,11,12);"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium tolyltriazole"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(-c2c[nH]nn2)cc1.[Na]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H9N3.Na/c1-7-2-4-8(5-3-7)9-6-10-12-11-9;/h2-6H,1H3,(H,10,11,12);": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Sodium tolyltriazole"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium tolyltriazole"
        ]
      },
      "attested_by": {
        "Sodium tolyltriazole": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.059.077",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687327;CAS:64665-57-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64665-57-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "64665-57-2"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/27034S05ER",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687327;CAS:64665-57-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64665-57-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23687327",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687327;CAS:64665-57-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[64665-57-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57352093",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57352093;CAS:64665-57-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[64665-57-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/91873310",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:91873310;CAS:64665-57-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[64665-57-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27254142",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23687327;CAS:64665-57-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[64665-57-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "07547d00-551f-46fe-85be-128a562f02c2",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "64665-57-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=64665-57-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "265-004-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=265-004-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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/MolecularComplex"
  ]
}

Sodium 4(or5)-methylbenzotriazol-1-ate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard