Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
fo-8605eaf471375abe
Identity
- Type
- Neutral molecule
- CAS
- 38720-66-0
- EC
- 254-100-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
2- Dichloroquinacridone
- Quino[2,3-b]acridine-7,14-dione, dichloro-5,12-dihydro-
Properties
| 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 |
Known URLs
6Where 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 | https://www.wikidata.org/wiki/Q126682433 | enrich_references.pubchem_identifier_url |
Elementary flows
13| 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 |
History
Everything that changed this substance (55 changes)
Full record
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": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Dichloroquinacridone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"prov:hadPrimarySource": [
"CID:56842367",
"CID:86208144"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"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": "brightway-flows",
"prov:hadPrimarySource": [
"CID:56842367",
"CID:86208144"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"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": "brightway-flows",
"prov:hadPrimarySource": [
"Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"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": "brightway-flows",
"prov:hadPrimarySource": [
"Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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": "brightway-flows",
"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"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works