Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione

Dichloroquinacridone
Quino[2,3-b]acridine-7,14-dione, dichloro-5,12-dihydro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BSLAGVFSESYFRT-UHFFFAOYSA-N, UFLLEPHODSEMJD-UHFFFAOYSA-N, XRGFQMSDJRTBMK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C20H10Cl2N2O2/c21-23-15-7-3-1-5-11(15)19(25)13-9-18-14(10-17(13)23)20(26)12-6-2-4-8-16(12)24(18)22/h1-10H
IUPAC name chemrof:IUPAC_name	Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
Molecular formula chemrof:molecular_formula	C20H10Cl2N2O2, C20H8Cl2N2O2
SMILES string chemrof:smiles_string	O=c1c2ccccc2n(Cl)c2cc3c(=O)c4ccccc4n(Cl)c3cc12

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=38720-66-0	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.049.165	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J265.894A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/56842367	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/86208144	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126682433	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
8a1a0f19-b978-4b52-ad60-0b57a8cb9b7b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
819683f1-1e00-4043-bc49-42709bd7857b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
1ff6c6e0-9b6e-4eab-b38e-ba20bb59a720	Environmental → Air → Indoor	EF 3.1	kg	4
9701a518-8281-4b72-81fc-efacf54f2a4a	Environmental → Air → Long-term	EF 3.1	kg	0
6c24cab1-4917-45a0-ba06-c50cc98c56e6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
ebeff947-f01e-40e9-9ccb-f5c0baa2cd53	Environmental → Air → Unknown	EF 3.1	kg	4
5cb46268-848f-4cca-b32c-e44137466c0c	Environmental → Ground → Agricultural	EF 3.1	kg	4
dad3a3e0-0ac6-4661-92ea-4c971829daed	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
24594d84-a72c-412a-ba9b-ee62c2a38ca2	Environmental → Ground → Unknown	EF 3.1	kg	4
4eb86f5d-a08c-4d1c-ab06-c7b5a800b314	Environmental → Water → Long-term	EF 3.1	kg	0
a69bc595-ff75-40f8-ade4-a50a17a09f80	Environmental → Water → Ocean	EF 3.1	kg	4
94e5a2f0-ac10-46bb-8d46-5615ab8688e5	Environmental → Water → Surface water	EF 3.1	kg	4
fa07df4d-8146-4aa3-bcc2-79df505bfadd	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-8605eaf471375abe",
  "prefLabel": [
    {
      "@value": "Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Dichloroquinacridone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:38720-66-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=38720-66-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quino[2,3-b]acridine-7,14-dione, dichloro-5,12-dihydro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:38720-66-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=38720-66-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C20H10Cl2N2O2",
        "C20H8Cl2N2O2"
      ],
      "attested_by": {
        "C20H10Cl2N2O2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "C20H8Cl2N2O2": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:56842367",
            "CID:86208144"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1c2ccccc2n(Cl)c2cc3c(=O)c4ccccc4n(Cl)c3cc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BSLAGVFSESYFRT-UHFFFAOYSA-N",
        "UFLLEPHODSEMJD-UHFFFAOYSA-N",
        "XRGFQMSDJRTBMK-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "BSLAGVFSESYFRT-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "UFLLEPHODSEMJD-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "XRGFQMSDJRTBMK-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:56842367",
            "CID:86208144"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1c2ccccc2n(Cl)c2cc3c(=O)c4ccccc4n(Cl)c3cc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=c1c2ccccc2n(Cl)c2cc3c(=O)c4ccccc4n(Cl)c3cc12"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1c2ccccc2n(Cl)c2cc3c(=O)c4ccccc4n(Cl)c3cc12"
          ]
        }
      ],
      "attested_by": {
        "O=c1c2ccccc2n(Cl)c2cc3c(=O)c4ccccc4n(Cl)c3cc12": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C20H10Cl2N2O2/c21-23-15-7-3-1-5-11(15)19(25)13-9-18-14(10-17(13)23)20(26)12-6-2-4-8-16(12)24(18)22/h1-10H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1c2ccccc2n(Cl)c2cc3c(=O)c4ccccc4n(Cl)c3cc12"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C20H10Cl2N2O2/c21-23-15-7-3-1-5-11(15)19(25)13-9-18-14(10-17(13)23)20(26)12-6-2-4-8-16(12)24(18)22/h1-10H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione"
        ]
      },
      "attested_by": {
        "Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J265.894A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:56842367;CAS:38720-66-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38720-66-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.049.165",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:56842367;CAS:38720-66-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38720-66-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=38720-66-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "38720-66-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/56842367",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:56842367;CAS:38720-66-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[38720-66-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/86208144",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86208144;CAS:38720-66-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[38720-66-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126682433",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:56842367;CAS:38720-66-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[38720-66-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1ff6c6e0-9b6e-4eab-b38e-ba20bb59a720",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "38720-66-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=38720-66-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=38720-66-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "254-100-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=254-100-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard