Consensus flow list

Identity

Type
NeutralMolecule
CAS
6358-37-8
EC
228-771-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(4-methylphenyl)-3-oxobutanamide]

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UCUHCYVCVYRSER-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C34H30Cl2N6O4/c1-19-5-11-25(12-6-19)37-33(45)31(21(3)43)41-39-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)40-42-32(22(4)44)34(46)38-26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
IUPAC name chemrof:IUPAC_name 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-methylphenyl)-3-oxobutanamide]
Molecular formula chemrof:molecular_formula C34H30Cl2N6O4
Molecular mass chemrof:molecular_mass 657.558
Monoisotopic mass chemrof:monoisotopic_mass 656.170559
SMILES string chemrof:smiles_string CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1

Known URLs

6

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=6358-37-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.155 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90863747 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.635B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/110824 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499810 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
745d4de5-914b-4b93-a14e-72a7c224b079 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1cbac5cf-f189-406f-909b-48024a679acf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cf46220a-2e71-4cbb-9636-f03716263f05 Environmental → Air → Indoor EF 3.1 kg 4
34a5c847-c57f-4b66-a9e5-6c59d3242ff2 Environmental → Air → Long-term EF 3.1 kg 0
60f54412-aa9c-4904-b761-455fd5a36913 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1f6dea5a-c915-41a1-a8a4-570876a691c6 Environmental → Air → Unknown EF 3.1 kg 4
0d805889-5f4f-4141-9551-4adcdc896c62 Environmental → Ground → Agricultural EF 3.1 kg 4
dac9f020-0f11-48a6-9077-8b3104031e9a Environmental → Ground → Non-agricultural EF 3.1 kg 4
7cf0491f-7b21-4fd4-92fc-4d3b0ebc2baa Environmental → Ground → Unknown EF 3.1 kg 4
550ea2b0-b8f5-4f1a-9ce2-507e94da3396 Environmental → Water → Long-term EF 3.1 kg 0
e73f04e1-0ede-4cd6-aa3b-69e94dc898ec Environmental → Water → Ocean EF 3.1 kg 4
2cb6df28-d8d7-4752-be91-9e3980a53ee8 Environmental → Water → Surface water EF 3.1 kg 4
784e46c9-ed31-4a18-baa8-5826db6b18fa Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-60fcc358727a1dd9",
  "prefLabel": [
    {
      "@value": "2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(4-methylphenyl)-3-oxobutanamide]",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-methylphenyl)-3-oxobutanamide]",
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    },
    {
      "@value": "Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-methylphenyl)-3-oxo-",
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    },
    {
      "@value": "Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(4-methylphenyl)-3-oxo-",
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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            "CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1"
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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          ]
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        "CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1"
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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}

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