Naphthalene-1,5-diol
fo-d93f22a4509e2722
Identity
- Type
- Neutral molecule
- CAS
- 83-56-7
- EC
- 201-487-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- 1,5-Dihydroxynaphthalene
- 1,5-Dihydroxynaphthaline
- 1,5-Naphthalenediol
- 1,5-Naphthohydroquinone
- Durafur Developer E
- Oxidation Base
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BOKGTLAJQHTOKE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H |
| IUPAC name chemrof:IUPAC_name | Naphthalene-1,5-diol |
| Molecular formula chemrof:molecular_formula | C10H8O2 |
| Molecular mass chemrof:molecular_mass | 160.172 |
| Monoisotopic mass chemrof:monoisotopic_mass | 160.052429 |
| SMILES string chemrof:smiles_string | Oc1cccc2c(O)cccc12 |
Known URLs
12Where 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.
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 685bc049-6c35-4c73-83c3-877108c10690 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 1c0c5ed4-804c-41c1-b55f-db688df1e076 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f563f54e-df65-4a93-8565-4be3b045066b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| cc9c92fb-2071-4807-8640-4e2878d90138 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 75d674eb-69bf-4012-a00c-6f32be9fccd0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9a828b59-634c-4ddc-b8ce-d547ea7e1a61 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4fef1f7b-5d29-451f-99c9-dde7d3d332f6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 94635087-3529-4820-8e8d-8022895376d5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| eb978a5e-365f-4844-9565-a11fd2a7df22 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 240e3d98-729c-4490-9c3d-f8b1ebebfc40 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2a301235-d735-4182-b487-54b1a60611fd | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f3ca0eb5-3a5e-4118-9774-13aa5fc63ecb | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 82ea97b3-3ccf-494f-91b6-4899088216d9 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-d93f22a4509e2722",
"prefLabel": [
{
"@value": "Naphthalene-1,5-diol",
"@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": "1,5-Dihydroxynaphthalene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:83-56-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=83-56-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,5-Dihydroxynaphthaline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:83-56-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=83-56-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,5-Naphthalenediol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:83-56-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=83-56-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,5-Naphthohydroquinone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:83-56-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=83-56-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Durafur Developer E",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:83-56-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=83-56-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Oxidation Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:83-56-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=83-56-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H8O2"
],
"attested_by": {
"C10H8O2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1cccc2c(O)cccc12"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BOKGTLAJQHTOKE-UHFFFAOYSA-N"
],
"attested_by": {
"BOKGTLAJQHTOKE-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1cccc2c(O)cccc12"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Oc1cccc2c(O)cccc12"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Naphthalene-1,5-diol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1cccc2c(O)cccc12"
]
}
],
"attested_by": {
"Oc1cccc2c(O)cccc12": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Naphthalene-1,5-diol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1cccc2c(O)cccc12"
]
}
],
"attested_by": {
"InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Naphthalene-1,5-diol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Naphthalene-1,5-diol"
]
},
"attested_by": {
"Naphthalene-1,5-diol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
160.172
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC2=C(C=CC=C2O)C(=C1)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1cccc2c(O)cccc12"
]
}
],
"attested_by": {
"160.172": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
160.052429
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC2=C(C=CC=C2O)C(=C1)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1cccc2c(O)cccc12"
]
}
],
"attested_by": {
"160.052429": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J70.174B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.001.353",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1604",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=83-56-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"83-56-7"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID2052574",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7202",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/1,5-Dihydroxynaphthalene",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P25HC23VH6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6749",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[83-56-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017775",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL204658",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q19842073",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6749;CAS:83-56-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[83-56-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1c0c5ed4-804c-41c1-b55f-db688df1e076",
"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": [
"83-56-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=83-56-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=83-56-7"
}
],
"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": [
"201-487-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=201-487-4"
],
"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"
]
}
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