1,2,4-trichloro-5-phenylbenzene
b77ffe7a-2730-4943-8b74-bdc18b44437c
Identity
- Substance
- fo-c14fafff51efcc08 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Unknown
- CAS
- 15862-07-4
- EC
- 630-494-9
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unknown
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | b77ffe7a-2730-4943-8b74-bdc18b44437c | 1,2,4-trichloro-5-phenylbenzene | 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 | b77ffe7a-2730-4943-8b74-bdc18b44437c | 1,2,4-trichloro-5-phenylbenzene | Emissions/Emissions to water/Emissions to water, unspecified | exactMatch | — |
History
The change log and the PROV-O trail (1 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": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H7Cl3"
],
"attested_by": {
"C12H7Cl3": [
"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:27514"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"VGVIKVCCUATMNG-UHFFFAOYSA-N"
],
"attested_by": {
"VGVIKVCCUATMNG-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:27514"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2,4-trichloro-5-phenylbenzene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
],
"attested_by": {
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2,4-trichloro-5-phenylbenzene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
],
"attested_by": {
"InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,2,4-trichloro-5-phenylbenzene"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2,4-trichloro-5-phenylbenzene"
]
},
"attested_by": {
"1,2,4-trichloro-5-phenylbenzene": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
257.547
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C(C=C1)C2=CC(=C(C=C2Cl)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
],
"attested_by": {
"257.547": [
"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": [
255.961333
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C(C=C1)C2=CC(=C(C=C2Cl)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
],
"attested_by": {
"255.961333": [
"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=J150.406A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:27514;CAS:15862-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.158.819",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:27514;CAS:15862-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=15862-07-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"15862-07-4"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0073405",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:27514;CAS:15862-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V66M3S37YW",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:27514;CAS:15862-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/27514",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:27514;CAS:15862-07-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[15862-07-4]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14127",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:27514;CAS:15862-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27291580",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:27514;CAS:15862-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
}
],
"prefLabel": [
{
"@value": "1,2,4-trichloro-5-phenylbenzene",
"@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": "b77ffe7a-2730-4943-8b74-bdc18b44437c",
"identifier": "b77ffe7a-2730-4943-8b74-bdc18b44437c",
"source": "EF 3.1",
"cas_numbers": [
"15862-07-4"
],
"ec_numbers": [
"630-494-9"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unknown"
},
"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": 33878.0
},
{
"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": 33878.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-c14fafff51efcc08",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/b77ffe7a-2730-4943-8b74-bdc18b44437c",
"skos:prefLabel": "1,2,4-trichloro-5-phenylbenzene",
"context": "Emissions/Emissions to water/Emissions to water, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/b77ffe7a-2730-4943-8b74-bdc18b44437c"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/b77ffe7a-2730-4943-8b74-bdc18b44437c"
},
"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": "bootstrap_labels",
"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",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"15862-07-4": "exactMatch"
},
"general_comment": "Flow name and one synonym interchanged with each other. Correct mapping CAS and flow to be verified, potentially wrong. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
"_transformed": true,
"_provided": {
"name": "1,2,4-trichloro-5-phenylbenzene",
"synonyms": [
"1,1'-Biphenyl, 2,4,5-trichloro-",
"2,4,5-TRICHLOROBIPHENYL",
"2,4,5-Trichloro-1,1'-biphenyl",
"AC1L1DDV",
"Biphenyl, 2,4,5-trichloro-",
"VGVIKVCCUATMNG-UHFFFAOYSA-",
"pcb-29"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to water, unspecified"
],
"cas_numbers": [
"15862-07-4"
],
"ec_numbers": [
"630-494-9"
],
"unit": "kg"
}
}