Consensus flow list

N,n'-phenylene-1,4-bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]

fo-f09413afb05ec774

Identity

Type
NeutralMolecule
CAS
3905-19-9
EC
223-460-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n'-phenylene-1,4-bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]

Alternative labels

24

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NQDGNYQKISTHLK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C40H24Cl4N6O4/c41-23-9-15-31(43)33(19-23)47-49-35-27-7-3-1-5-21(27)17-29(37(35)51)39(53)45-25-11-13-26(14-12-25)46-40(54)30-18-22-6-2-4-8-28(22)36(38(30)52)50-48-34-20-24(42)10-16-32(34)44/h1-20,51-52H,(H,45,53)(H,46,54)
IUPAC name chemrof:IUPAC_name 1,4-Bis[[1-(2,5-dichlorophenylazo)-2-hydroxy-3-naphthoyl]amino]benzene
Molecular formula chemrof:molecular_formula C40H24Cl4N6O4
Molecular mass chemrof:molecular_mass 794.482
Monoisotopic mass chemrof:monoisotopic_mass 792.061314
SMILES string chemrof:smiles_string O=C(Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(Cl)ccc3Cl)c2O)cc1)c1cc2ccccc2c(N=Nc2cc(Cl)ccc2Cl)c1O

Known URLs

10

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=3905-19-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.328 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.096 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.133.636 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8052063 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2X2HR8CGT2 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3204.17.04.30 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.748J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135553566 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499584 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
79ea372a-e0bc-46c9-affe-8deb78e495b4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3d661a9a-2910-47b2-addd-2ade8f0dc9ee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3ac1477b-a0e3-4f90-90ed-9118241c7420 Environmental → Air → Indoor EF 3.1 kg 4
5a81fe27-8cb4-48d5-8d3c-acdc6452c7ad Environmental → Air → Long-term EF 3.1 kg 0
2f03682a-7d15-4c3b-bbcf-cadec0277daa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6a2480a3-a3dd-41d3-8379-a67cce76fc9a Environmental → Air → Unknown EF 3.1 kg 4
c390ee06-b35e-4734-9abd-97e4e198b40d Environmental → Ground → Agricultural EF 3.1 kg 4
b45f056f-8578-40de-bc99-163544fb7361 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7bc913b6-944c-4519-9112-835858a45350 Environmental → Ground → Unknown EF 3.1 kg 4
33b9ca50-8e4d-4c3f-88ef-a487130db101 Environmental → Water → Long-term EF 3.1 kg 0
6bff2ad4-80ab-42b3-b684-3885029adf1c Environmental → Water → Ocean EF 3.1 kg 4
00b28c00-0431-4e22-9605-f8055e464362 Environmental → Water → Surface water EF 3.1 kg 4
840b2d45-fa27-40ec-978d-520625a4835e 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-f09413afb05ec774",
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    {
      "@value": "N,n'-phenylene-1,4-bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]",
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  ],
  "altLabel": [
    {
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    {
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      "@value": "Unisperse Scarlet R-E",
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      "@value": "Versal Scarlet R",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C40H24Cl4N6O4"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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        "NQDGNYQKISTHLK-UHFFFAOYSA-N"
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "O=C(Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(Cl)ccc3Cl)c2O)cc1)c1cc2ccccc2c(N=Nc2cc(Cl)ccc2Cl)c1O"
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      "provenance": [
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        "O=C(Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(Cl)ccc3Cl)c2O)cc1)c1cc2ccccc2c(N=Nc2cc(Cl)ccc2Cl)c1O": [
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C40H24Cl4N6O4/c41-23-9-15-31(43)33(19-23)47-49-35-27-7-3-1-5-21(27)17-29(37(35)51)39(53)45-25-11-13-26(14-12-25)46-40(54)30-18-22-6-2-4-8-28(22)36(38(30)52)50-48-34-20-24(42)10-16-32(34)44/h1-20,51-52H,(H,45,53)(H,46,54)"
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      ],
      "attested_by": {
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