Brightway Flows 1.0
GitHub

Identity

Type
Neutral molecule
CAS
6535-46-2
EC
229-440-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-hydroxy-n-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]-2-naphthamide

Alternative labels

39

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JQNJCQYNSLCFAC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)
IUPAC name chemrof:IUPAC_name 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]-
Molecular formula chemrof:molecular_formula C24H16Cl3N3O2
Molecular mass chemrof:molecular_mass 484.77
Monoisotopic mass chemrof:monoisotopic_mass 483.03081
SMILES string chemrof:smiles_string Cc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2cc(Cl)c(Cl)cc2Cl)c1O

Known URLs

8

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=6535-46-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.765 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1064403 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6S30UYY7FD enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.060J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23034 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126615071 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27265417 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
64a8757a-358b-48ff-9ad0-2f817368a55f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bad4387f-ba93-45ac-86fb-1773b424dea9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5495f718-e1a4-4773-afca-15dfddb65ea0 Environmental → Air → Indoor EF 3.1 kg 2
253be34c-ce2f-48ff-9834-4c9b1fa4efe8 Environmental → Air → Long-term EF 3.1 kg 0
d5658663-a9b0-47b3-9013-9ff27e16e14a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
021c55a8-41f0-4ee2-9665-31ff5d2b3d13 Environmental → Air → Unknown EF 3.1 kg 2
20057d7b-bb22-4ad2-9a32-4280c22a977c Environmental → Ground → Agricultural EF 3.1 kg 2
9358c56c-bda1-4935-b799-7386f994d31f Environmental → Ground → Non-agricultural EF 3.1 kg 2
54cade9f-bea7-4ade-9659-91694671f905 Environmental → Ground → Unknown EF 3.1 kg 2
afa81a27-4b69-42e7-94f0-8b0cff11bae0 Environmental → Water → Long-term EF 3.1 kg 0
82cd2d97-2df8-4414-8fb2-48ff9ed9bb99 Environmental → Water → Ocean EF 3.1 kg 2
c9109d4a-87d3-482b-aefd-43229e2fc00a Environmental → Water → Surface water EF 3.1 kg 2
3d1be99f-a745-450c-aad1-82db93175621 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-fa5493ba0908e93d",
  "prefLabel": [
    {
      "@value": "3-hydroxy-n-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]-2-naphthamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]-",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]-2-naphthalenecarboxamide",
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    },
    {
      "@value": "3-Hydroxy-N-(o-tolyl)-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide",
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}

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