Consensus flow list

Identity

Type
Neutral molecule
CAS
3520-72-7
EC
222-530-3
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-phenyl-2,4-dihydro-3h-pyrazol-3-one)

Alternative labels

81

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HKYYDLYCGBDWSB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H24Cl2N8O2/c1-19-29(31(43)41(39-19)23-9-5-3-6-10-23)37-35-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)36-38-30-20(2)40-42(32(30)44)24-11-7-4-8-12-24/h3-18,29-30H,1-2H3
IUPAC name chemrof:IUPAC_name 4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one)
Molecular formula chemrof:molecular_formula C32H24Cl2N8O2
Molecular mass chemrof:molecular_mass 623.504
Monoisotopic mass chemrof:monoisotopic_mass 622.139927
SMILES string chemrof:smiles_string CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(-c2ccc(N=NC3C(=O)N(c4ccccc4)N=C3C)c(Cl)c2)cc1Cl

Known URLs

4

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=3520-72-7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.684K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20843803 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126612089 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
593da914-d5b4-4577-98c9-cd57e2bfaf48 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dbbe2def-5c95-44e9-9545-1d5150fd5ae1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2be7e826-def3-4092-84e5-aa029916178b Environmental → Air → Indoor EF 3.1 kg 4
3ab92a3c-8cb7-46dd-9789-db71ea939e30 Environmental → Air → Long-term EF 3.1 kg 0
2b443ee8-a7a6-404b-970f-dbe9258b233b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7fd93f11-3fbf-42a0-86e7-f83d61cf8562 Environmental → Air → Unknown EF 3.1 kg 4
cb82d356-3c56-4a2c-80c4-5f2cd325c0da Environmental → Ground → Agricultural EF 3.1 kg 4
56674cbc-9cfa-4aa5-882d-db27c4156195 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6e835da9-f1c8-48da-8cfa-57e79afe7be7 Environmental → Ground → Unknown EF 3.1 kg 4
917a463d-c1b0-4142-84c4-a303f7edd0a2 Environmental → Water → Long-term EF 3.1 kg 0
7dcb565b-b379-484b-9b41-96da3c0aa406 Environmental → Water → Ocean EF 3.1 kg 4
5f565f37-46e8-4bcf-b302-b3c5c4c97a0d Environmental → Water → Surface water EF 3.1 kg 4
f3facbd3-4ecd-4ea5-8910-4ae7f3fc83ab 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-4dd748af4ec83bce",
  "prefLabel": [
    {
      "@value": "4,4'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one)",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "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-phenyl-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@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-phenyl-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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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-phenyl-3H-pyrazol-3-one]",
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      "@value": "C.I. Pigment Orange 13",
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      "@value": "Calcotone Orange R",
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      "@value": "Carnelio Orange G",
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      "@value": "Dainichi Fast Orange RR",
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      "@value": "Daltolite Fast Orange G",
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      "@value": "Diarylide Orange",
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    {
      "@value": "Disazo Orange PMP",
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      "@value": "Eljon Fast Orange G",
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      "@value": "Fast Benzidene Orange YB 3",
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      "@value": "Fast Orange J",
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      "@value": "Fastona Orange 13",
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      "@value": "Fastona Orange G",
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      "@value": "Flexonyl Orange G 100",
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    {
      "@value": "Graphtol Orange GP",
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    {
      "@value": "Graphtol Orange GPS",
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    {
      "@value": "Irgalite Fast Orange PG",
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      "@value": "Irgalite Orange P",
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      "@value": "Irgalite Orange PG",
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      "@value": "Irgalite Orange PX",
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    {
      "@value": "Irgaplast Orange G",
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    {
      "@value": "KET Orange 501",
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      "@value": "Kromon Orange G",
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      "@value": "Latexol Fast Orange J",
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      "@value": "Lionol Orange B",
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    {
      "@value": "Lutetia Orange J",
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    {
      "@value": "Monolite Fast Orange G",
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    {
      "@value": "Monolite Fast Orange GA",
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    {
      "@value": "Monolite Fast Paper Orange G",
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  "@type": [
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}

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