Consensus flow list

Identity

Type
Neutral molecule
CAS
40618-31-3
EC
255-005-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n'-(2,5-dichloro-1,4-phenylene)bis{4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthamide}

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BNOJIFCMRRONPS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,53-54H,(H,47,55)(H,48,56)
IUPAC name chemrof:IUPAC_name 2-Naphthalenecarboxamide, N,N′-(2,5-dichloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-
Molecular formula chemrof:molecular_formula C40H22Cl6N6O4
Molecular mass chemrof:molecular_mass 863.372
Monoisotopic mass chemrof:monoisotopic_mass 859.983369
SMILES string chemrof:smiles_string O=C(Nc1cc(Cl)c(NC(=O)c2cc3ccccc3c(N=Nc3cc(Cl)ccc3Cl)c2O)cc1Cl)c1cc2ccccc2c(N=Nc2cc(Cl)ccc2Cl)c1O

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=40618-31-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.988 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.111.434 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4068242 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.077F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162420 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499633 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fc910352-24ed-4aaf-8a19-8e7089ecf1fe Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0e9e12bb-1913-476d-8387-e506b636c638 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
268571db-0606-45d7-b237-ecae799b453a Environmental → Air → Indoor EF 3.1 kg 4
8f7d43b6-c7e5-47ce-923c-539e0f62f627 Environmental → Air → Long-term EF 3.1 kg 0
bb19944b-e271-42ea-95a6-95258011a688 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
25f8c440-8871-4fd0-afc4-502f102abcd8 Environmental → Air → Unknown EF 3.1 kg 4
1248eb1c-2cdc-4fbd-918d-6fe534273efe Environmental → Ground → Agricultural EF 3.1 kg 4
59ef7789-2304-4363-935c-40ab2b31efcb Environmental → Ground → Non-agricultural EF 3.1 kg 4
37687881-6f5c-405b-9eec-7542f11df1ca Environmental → Ground → Unknown EF 3.1 kg 4
4ecf55fd-accd-4e45-b427-3d4c346c607d Environmental → Water → Long-term EF 3.1 kg 0
65100419-3732-4b65-b9d2-2d23f14c1e05 Environmental → Water → Ocean EF 3.1 kg 4
78b4df83-aa13-4d69-b580-845bbeff0e8a Environmental → Water → Surface water EF 3.1 kg 4
e57a00f7-fa79-4dc3-a32e-fa66042ae257 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-46d3766a8c17ff6c",
  "prefLabel": [
    {
      "@value": "N,n'-(2,5-dichloro-1,4-phenylene)bis{4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-naphthamide}",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Bis[1-(2,5-dichlorophenylazo)-2-hydroxynaphthyl-3-carbonylamino]-3,6-dichlorobenzene",
      "@language": "en",
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      }
    },
    {
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      "@value": "C.I. Pigment Red 214",
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      "@value": "Pigment Red 214",
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    },
    {
      "@value": "PV Fast Red BNP",
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      "@value": "Sandorin Red BN",
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      "@value": "Sumitone Fast Red B",
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  "properties": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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    },
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      "rdfs:label": "SMILES",
      "@value": [
        "O=C(Nc1cc(Cl)c(NC(=O)c2cc3ccccc3c(N=Nc3cc(Cl)ccc3Cl)c2O)cc1Cl)c1cc2ccccc2c(N=Nc2cc(Cl)ccc2Cl)c1O"
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      "attested_by": {
        "2-Naphthalenecarboxamide, N,N′-(2,5-dichloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-": [
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      "attested_by": {
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
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      "@value": [
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    "semantic_typing": {
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      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "40618-31-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=40618-31-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=40618-31-3"
        }
      ],
      "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": [
        "255-005-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=255-005-2"
      ],
      "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/NeutralMolecule"
  ]
}

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