Consensus flow list

Identity

Type
Neutral molecule
CAS
91-20-3
EC
202-049-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Naphthalene

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UFWIBTONFRDIAS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
IUPAC name chemrof:IUPAC_name Naphthalene
Molecular formula chemrof:molecular_formula C10H8
Molecular mass chemrof:molecular_mass 128.174
Monoisotopic mass chemrof:monoisotopic_mass 128.0626
SMILES string chemrof:smiles_string c1ccc2ccccc2c1

Known URLs

41

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=25135-16-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=62238-84-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=91-20-3 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/QJ802C8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16482 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.863 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.210.777 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0667 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020913 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37565 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16293 enrich_references.pubchem_identifier_url
gmelin gmelin:3347 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2166IN72UN enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029751 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.839H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00829 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00829 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001259 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44039 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=NAPHTHALENE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29839 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:NPY enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL16293 enrich_references.pubchem_identifier_url
ppdb ppdb:1312 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/931 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1334 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1760 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2304 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=578520 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10814889 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11202734 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16220979 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16699520 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17850896 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26875834 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26895256 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27439360 enrich_references.chebi_xrefs
reaxys reaxys:1421310 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0333 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q179724 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Naphthalene enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
e2fb2bf8-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-a684-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
57141ab8-511f-4c6b-9a8e-6571ea716934 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a683-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a685-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-a682-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a680-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a9e4-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a681-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a9e2-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a9e5-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
0b3d88af912fb1f93eaa981740186e09beaaad9b Environmental → Water → River bafu algorithm addition kg 0
fe0acd60-3ddc-11dd-a686-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-a9e3-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-00603c0ea12b4bbb",
  "prefLabel": [
    {
      "@value": "Naphthalene",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "Albocarbon",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dezodorator",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=91-20-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Moth flakes",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "naftalina",
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      "provenance": {
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        ],
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      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "naphtaline",
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    },
    {
      "@value": "Naphthalen",
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        ],
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      }
    },
    {
      "@value": "Naphthalin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Naphthene",
      "@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": "Tar camphor",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "White tar",
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      "provenance": {
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  ],
  "properties": {
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
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      "@value": [
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    "https://w3id.org/chemrof/elemental_charge": {
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      "@value": [
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      "attested_by": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "Naphthalene": [
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        ]
      }
    }
  },
  "references": [
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