Consensus flow list

4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3h-pyrazol-3-one]

fo-fb8f64ad1e6d87e6

Identity

Type
Neutral molecule
CAS
15793-73-4
EC
239-898-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3h-pyrazol-3-one]

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UIBAAMBCJDNDSQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C34H28Cl2N8O2/c1-19-5-11-25(12-6-19)43-33(45)31(21(3)41-43)39-37-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)38-40-32-22(4)42-44(34(32)46)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3
IUPAC name chemrof:IUPAC_name 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3h-pyrazol-3-one]
Molecular formula chemrof:molecular_formula C34H28Cl2N8O2
Molecular mass chemrof:molecular_mass 651.558
Monoisotopic mass chemrof:monoisotopic_mass 650.171227
SMILES string chemrof:smiles_string CC1=NN(c2ccc(C)cc2)C(=O)C1N=Nc1ccc(-c2ccc(N=NC3C(=O)N(c4ccc(C)cc4)N=C3C)c(Cl)c2)cc1Cl

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=15793-73-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.256 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60864640 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J59.318D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/85908 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499547 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7d39e696-cdec-404d-8596-9e432d6cb145 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c7f4a1e8-84aa-4a4c-b3e8-ccfdc7446160 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
720d11c6-2442-4838-a4fa-6c53a2ec80cf Environmental → Air → Indoor EF 3.1 kg 4
99ec4111-eede-4567-a722-817d5f13aee9 Environmental → Air → Long-term EF 3.1 kg 0
a6748a72-584e-4319-9c0e-56cbc5cf3a8d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7804cca4-3272-432e-ad67-cc2a41fcf305 Environmental → Air → Unknown EF 3.1 kg 4
0f88c4dd-ed8a-47dc-8463-ef6a46a98a9a Environmental → Ground → Agricultural EF 3.1 kg 4
6a8c51bf-8c20-4c8b-b4ee-358f2eb78021 Environmental → Ground → Non-agricultural EF 3.1 kg 4
17d15a3e-0eff-4c38-bcfe-c48e6b1e35a6 Environmental → Ground → Unknown EF 3.1 kg 4
8c0ee27a-55b2-4d2e-b435-c8e9cd384810 Environmental → Water → Long-term EF 3.1 kg 0
9078e24b-6c61-416f-ae87-8a92c87c5e31 Environmental → Water → Ocean EF 3.1 kg 4
ad49ddf1-0e55-4c6e-878b-af0dc5047bf9 Environmental → Water → Surface water EF 3.1 kg 4
084a0467-b722-4d02-8b56-1ed02f7660aa 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-fb8f64ad1e6d87e6",
  "prefLabel": [
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      "@value": "4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3h-pyrazol-3-one]",
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  ],
  "altLabel": [
    {
      "@value": "3H-Pyrazol-3-one, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-",
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    },
    {
      "@value": "3H-Pyrazol-3-one, 4,4′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-",
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      "@value": "4,4′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one]",
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  "properties": {
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}

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