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Sodium 4(or5)-methylbenzotriazol-1-ate

fo-730cb867cf178fe8

Identity

Type
Molecular complex
CAS
64665-57-2
EC
265-004-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Sodium 4(or5)-methylbenzotriazol-1-ate

Alternative labels

10

Properties

PropertyValue
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]

Known URLs

7

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 https://www.wikidata.org/wiki/Q27254142 enrich_references.pubchem_identifier_url

Elementary flows

13
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

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

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",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cobratec TT 50S",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
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      "@value": "Cobratec TT 85",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylbenzotriazole sodium salt",
      "@language": "en",
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      }
    },
    {
      "@value": "Sodium tolyltriazole",
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      }
    },
    {
      "@value": "Tolyltriazole sodium salt",
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      }
    },
    {
      "@value": "Wintrol T 50",
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        ],
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      },
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      "rdfs:label": "InChIKey",
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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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        {
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            "Cc1ccc(-c2c[nH]nn2)cc1.[Na]"
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      ],
      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    "https://w3id.org/chemrof/IUPAC_name": {
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  "references": [
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}

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