Styphnic Acid
03c37d64-389d-4cd7-b332-d462c05c21f0
Identity
- Substance
- fo-534d55ab19ee946e Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Ocean
- CAS
- 82-71-3
- EC
- 201-436-6
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Ocean
Alternative labels
7- 1,3-Benzenediol, 2,4,6-trinitro-
- 1,3-Dihydroxy-2,4,6-trinitrobenzene
- 2,4,6-Trinitro-1,3-benzenediol
- 2,4,6-Trinitroresorcinol
- 2,4-Dihydroxy-1,3,5-trinitrobenzene
- 3-Hydroxy-2,4,6-trinitrophenol
- Resorcinol, 2,4,6-trinitro-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 03c37d64-389d-4cd7-b332-d462c05c21f0 | styphnic acid | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 03c37d64-389d-4cd7-b332-d462c05c21f0 | styphnic acid | Emissions/Emissions to water/Emissions to sea water | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 7.9248e-14 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 7.9248e-14 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 7.9248e-14 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 7.9248e-14 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "1,3-Benzenediol, 2,4,6-trinitro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:82-71-3",
"https://commonchemistry.cas.org/detail?cas_rn=82-71-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Dihydroxy-2,4,6-trinitrobenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:82-71-3",
"https://commonchemistry.cas.org/detail?cas_rn=82-71-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,4,6-Trinitro-1,3-benzenediol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:82-71-3",
"https://commonchemistry.cas.org/detail?cas_rn=82-71-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,4,6-Trinitroresorcinol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:82-71-3",
"https://commonchemistry.cas.org/detail?cas_rn=82-71-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,4-Dihydroxy-1,3,5-trinitrobenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:82-71-3",
"https://commonchemistry.cas.org/detail?cas_rn=82-71-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Hydroxy-2,4,6-trinitrophenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:82-71-3",
"https://commonchemistry.cas.org/detail?cas_rn=82-71-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Resorcinol, 2,4,6-trinitro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:82-71-3",
"https://commonchemistry.cas.org/detail?cas_rn=82-71-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H3N3O8"
],
"attested_by": {
"C6H3N3O8": [
"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:6721"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"IXHMHWIBCIYOAZ-UHFFFAOYSA-N"
],
"attested_by": {
"IXHMHWIBCIYOAZ-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:6721"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Styphnic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O"
]
}
],
"attested_by": {
"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Styphnic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O"
]
}
],
"attested_by": {
"InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Styphnic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Styphnic Acid"
]
},
"attested_by": {
"Styphnic Acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
245.103
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O"
]
}
],
"attested_by": {
"245.103": [
"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": [
244.992014
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O"
]
}
],
"attested_by": {
"244.992014": [
"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=J4.616G",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[82-71-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.001.306",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[82-71-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=82-71-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"82-71-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7058880",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[82-71-3]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=36932",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[82-71-3]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Styphnic_acid",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[82-71-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R4TJB1U00D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[82-71-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6721",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[82-71-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#0219",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[82-71-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82432",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6721;CAS:82-71-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[82-71-3]"
}
}
],
"prefLabel": [
{
"@value": "Styphnic Acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "03c37d64-389d-4cd7-b332-d462c05c21f0",
"identifier": "03c37d64-389d-4cd7-b332-d462c05c21f0",
"source": "EF 3.1",
"cas_numbers": [
"82-71-3"
],
"ec_numbers": [
"201-436-6"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Ocean"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 7.9248e-14
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 7.9248e-14
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-534d55ab19ee946e",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/03c37d64-389d-4cd7-b332-d462c05c21f0",
"skos:prefLabel": "styphnic acid",
"context": "Emissions/Emissions to water/Emissions to sea water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/03c37d64-389d-4cd7-b332-d462c05c21f0"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/03c37d64-389d-4cd7-b332-d462c05c21f0"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"82-71-3": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "styphnic acid",
"synonyms": [
"1,3-Benzenediol, 2,4,6-trinitro-",
"2,4,6-TRINITRORESORCINOL",
"2,4,6-Trinitro-1,3-benzenediol",
"2,4,6-trinitrobenzene-1,3-diol",
"2,4-Dihydroxy-1,3,5-trinitrobenzene",
"AC1L1N5M",
"AKOS005068095",
"CL22906",
"Resorcinol, 2,4,6-trinitro-",
"Resorcinol, 2,4,6-trinitro- (8CI)"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to sea water"
],
"cas_numbers": [
"82-71-3"
],
"ec_numbers": [
"201-436-6"
],
"unit": "kg"
}
}