Consensus flow list

Identity

Type
Neutral molecule
CAS
40020-01-7
EC
254-752-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6-chloro-3-phenylpyridazin-4-ol

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZUSHSDOEVHPTCU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)
IUPAC name chemrof:IUPAC_name 6-chloro-3-phenylpyridazin-4-ol
Molecular formula chemrof:molecular_formula C10H7ClN2O
Molecular mass chemrof:molecular_mass 206.632
Monoisotopic mass chemrof:monoisotopic_mass 206.024691
SMILES string chemrof:smiles_string Oc1cc(Cl)nnc1-c1ccccc1

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=40020-01-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.757 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3058086 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/09L470QH6I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J227.467A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92316 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22808826 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
2b19f216-a001-460d-a8f5-614eb9cc089c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
baf6126d-e0ec-4ded-ac0a-1a95cd5b42bd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7b021965-6322-4d35-9be1-b003860c2aa5 Environmental → Air → Indoor EF 3.1 kg 2
2463bfb1-34b9-4426-86c1-325bc450711e Environmental → Air → Long-term EF 3.1 kg 0
2150206b-ba11-49bc-a6da-93370937376f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c205d45f-589d-4aef-87c7-1a7ec7829ec2 Environmental → Air → Unknown EF 3.1 kg 2
5414ef1b-ba2c-458c-b779-88ba2c8ea276 Environmental → Ground → Agricultural EF 3.1 kg 2
35bec06e-a213-4724-9a31-6dea147dbb9a Environmental → Ground → Non-agricultural EF 3.1 kg 2
b4b7f4f9caf612267e26b8ba95a569cb4dd4f579 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
6be2c90d-b29c-4f32-a1af-b7002fb31fc2 Environmental → Ground → Unknown EF 3.1 kg 2
4eba1386-150e-4800-b0c0-2439532d3e1c Environmental → Water → Long-term EF 3.1 kg 0
e1b0093a-aaba-4518-8450-476b657d0e41 Environmental → Water → Ocean EF 3.1 kg 2
d6e5ca09-af08-466a-ab6b-7c816f991865 Environmental → Water → Surface water EF 3.1 kg 2
04e2cdaa-67d3-4962-a755-012fe4f166d4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9b0f22ca7c7d9c14",
  "prefLabel": [
    {
      "@value": "6-chloro-3-phenylpyridazin-4-ol",
      "@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": "3-Chloro-5-hydroxy-6-phenylpyridazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:40020-01-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=40020-01-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Phenyl-4-hydroxy-6-chloropyridazine",
      "@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=40020-01-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyridazinol, 6-chloro-3-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Chloro-3-phenyl-4-pyridazinol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NOA 402989",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridafol",
      "@language": "en",
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      "provenance": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl"
          ]
        },
        {
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      ],
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
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  },
  "references": [
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    "seed_uuid": "04e2cdaa-67d3-4962-a755-012fe4f166d4",
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}

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