Bis(trichloromethyl) Sulphone
a5466c59-525e-4b1b-a8b1-ef3436ed0890
Identity
- Substance
- fo-31755fb758215528 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Surface water
- CAS
- 3064-70-8
- EC
- 221-310-4
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Surface water
Alternative labels
8- 1,1′-Sulfonylbis[1,1,1-trichloromethane]
- Bis(trichloromethyl) sulfone
- Chlorosulfona
- Hexachlorodimethyl sulfone
- Methane, 1,1′-sulfonylbis[1,1,1-trichloro-
- Methane, sulfonylbis[trichloro-
- Slimicide E
- Sulfone, bis(trichloromethyl)
Source lists
2| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | a5466c59-525e-4b1b-a8b1-ef3436ed0890 | bis(trichloromethyl) sulphone | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
| ecoinvent | 3.12 | 3d4c3b5d-2a65-5553-a85f-e00bb9584467 | Bis(trichloromethyl) Sulfone | A curator's mapping table (ecoinvent-3.11-biosphere-EF-3.1-biosphere) names this flow. |
Concept associations
2| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | a5466c59-525e-4b1b-a8b1-ef3436ed0890 | bis(trichloromethyl) sulphone | Emissions/Emissions to water/Emissions to fresh water | exactMatch | — |
| ecoinvent 3.12 | 3d4c3b5d-2a65-5553-a85f-e00bb9584467 | Bis(trichloromethyl) Sulfone | water / surface water | exactMatch | — |
Characterisation factors
6- consensus-flow-list 2
- European Commission — JRC 2
- ecoinvent Centre 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 | — | 666,700 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater | — | 666,700 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 666,700 | agreed |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 666,700 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 666,700 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 666,700 | agreed |
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": "1,1′-Sulfonylbis[1,1,1-trichloromethane]",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3064-70-8",
"https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(trichloromethyl) sulfone",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3064-70-8",
"https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chlorosulfona",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3064-70-8",
"https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexachlorodimethyl sulfone",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3064-70-8",
"https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methane, 1,1′-sulfonylbis[1,1,1-trichloro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3064-70-8",
"https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methane, sulfonylbis[trichloro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3064-70-8",
"https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Slimicide E",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3064-70-8",
"https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sulfone, bis(trichloromethyl)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3064-70-8",
"https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2Cl6O2S"
],
"attested_by": {
"C2Cl6O2S": [
"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:62478"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"YBNLWIZAWPBUKQ-UHFFFAOYSA-N"
],
"attested_by": {
"YBNLWIZAWPBUKQ-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:62478"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(trichloromethyl) Sulphone"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(trichloromethyl) Sulphone"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Bis(trichloromethyl) Sulphone"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(trichloromethyl) Sulphone"
]
},
"attested_by": {
"Bis(trichloromethyl) Sulphone": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
300.805
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"300.805": [
"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": [
297.775016
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl"
]
}
],
"attested_by": {
"297.775016": [
"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=J28.312F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3064-70-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.019.374",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3064-70-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3064-70-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3064-70-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3032331",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3064-70-8]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21713",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3064-70-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PTZ0QE9824",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3064-70-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/62478",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3064-70-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1759",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3064-70-8]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561446",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3064-70-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27286750",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:62478;CAS:3064-70-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3064-70-8]"
}
}
],
"prefLabel": [
{
"@value": "Bis(trichloromethyl) Sulphone",
"@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": "a5466c59-525e-4b1b-a8b1-ef3436ed0890",
"identifier": "a5466c59-525e-4b1b-a8b1-ef3436ed0890",
"source": "EF 3.1",
"cas_numbers": [
"3064-70-8"
],
"ec_numbers": [
"221-310-4"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Surface water"
},
"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": 666700.0
},
{
"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": 666700.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-31755fb758215528",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/a5466c59-525e-4b1b-a8b1-ef3436ed0890",
"skos:prefLabel": "bis(trichloromethyl) sulphone",
"context": "Emissions/Emissions to water/Emissions to fresh water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/a5466c59-525e-4b1b-a8b1-ef3436ed0890"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/a5466c59-525e-4b1b-a8b1-ef3436ed0890"
},
"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"
]
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/3d4c3b5d-2a65-5553-a85f-e00bb9584467",
"skos:prefLabel": "Bis(trichloromethyl) Sulfone",
"context": "water / surface water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/a5466c59-525e-4b1b-a8b1-ef3436ed0890"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/a5466c59-525e-4b1b-a8b1-ef3436ed0890"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.12:3d4c3b5d-2a65-5553-a85f-e00bb9584467",
"Bis(trichloromethyl) Sulfone",
"ecoinvent-3.11-biosphere-EF-3.1-biosphere"
],
"prov:wasDerivedFrom": "randonneur_replace_table:prepared_mapping"
}
}
],
"_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": {
"3064-70-8": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "bis(trichloromethyl) sulphone",
"synonyms": [
"AC1L1X7H",
"Bis(trichloromethyl) sulfone",
"Bis(trichloromethyl)sulfone",
"Chlorosulfona",
"Clorosulfona",
"Hexachlorodimethyl sulfone",
"METHANE, SULFONYLBIS(TRICHLORO-",
"Methane, 1,1'-sulfonylbis(1,1,1-trichloro-",
"Methane, sulfonylbis[trichloro-",
"N 1386",
"N-1386 biocide",
"Slimicide E",
"Sulfone, bis(trichloromethyl)",
"Trichloromethylsulfone",
"trichloro(trichloromethylsulfonyl)methane"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to fresh water"
],
"cas_numbers": [
"3064-70-8"
],
"ec_numbers": [
"221-310-4"
],
"unit": "kg"
}
}