Consensus flow list

Identity

Type
Neutral molecule
CAS
68227-78-1
EC
269-389-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(5-chloro-2-methylphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WWPCXBSKDSUELS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H25ClN4O4/c1-19-12-14-22(33)18-26(19)35-32(40)25-16-20-8-6-7-11-24(20)29(30(25)38)37-36-27-17-21(13-15-28(27)41-2)31(39)34-23-9-4-3-5-10-23/h3-18,38H,1-2H3,(H,34,39)(H,35,40)
IUPAC name chemrof:IUPAC_name N-(5-chloro-2-methylphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide
Molecular formula chemrof:molecular_formula C32H25ClN4O4
Molecular mass chemrof:molecular_mass 565.029
Monoisotopic mass chemrof:monoisotopic_mass 564.156433
SMILES string chemrof:smiles_string COc1ccc(C(=O)Nc2ccccc2)cc1N=Nc1c(O)c(C(=O)Nc2cc(Cl)ccc2C)cc2ccccc12

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=68227-78-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.063.062 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8071300 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J289.061E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/109852 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499569 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c6fac0fa-344d-4844-b755-bda047d1aabb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0b49deac-6ff1-4567-9458-e3960bc1591b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
849edf7c-b8e8-486d-a9dc-b095319ae85b Environmental → Air → Indoor EF 3.1 kg 4
2403aca5-5c4b-4e18-8bd7-9a41639e6c49 Environmental → Air → Long-term EF 3.1 kg 0
111e37c6-1dfd-4fd8-91d7-4f0e62fef152 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7e3af989-e22e-4677-8c45-a01ade2bbc34 Environmental → Air → Unknown EF 3.1 kg 4
b7614ac6-0b72-45e3-823c-7734425b8018 Environmental → Ground → Agricultural EF 3.1 kg 4
fd3418c5-b605-4c86-8337-c3b0e005af8b Environmental → Ground → Non-agricultural EF 3.1 kg 4
5f5ea72c-2881-4cc0-9d47-2f95e4534144 Environmental → Ground → Unknown EF 3.1 kg 4
108c5b17-4636-42dc-b88d-35b324104b61 Environmental → Water → Long-term EF 3.1 kg 0
99203aa5-624b-44f6-a74f-b5da4f5d0975 Environmental → Water → Ocean EF 3.1 kg 4
8ceb7ce4-097b-4f0b-b115-ef0921f500fd Environmental → Water → Surface water EF 3.1 kg 4
730e0af1-9f8b-4bfe-9279-1b025e518710 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-73ae7871fdef9d1c",
  "prefLabel": [
    {
      "@value": "N-(5-chloro-2-methylphenyl)-3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-2-naphthamide",
      "@language": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphtho-o-toluidide, 5′-chloro-3-hydroxy-4-(2-methoxy-5-phenylcarbamoylphenylazo)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    {
      "@value": "C.I. Pigment Red 147",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(5-Chloro-2-methylphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-2-naphthalenecarboxamide",
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}

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