2,3,4,5-tetrachlorobenzoyl Chloride
ded86c31-25e8-4f75-b014-15e9fcfb1614
Deprecated
Replaced by 52d426ea-1d39-48f2-b6a5-df5f88d63067 .
Identity
- Substance
- fo-b04116df67e1c286 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Long-term
- CAS
- 42221-52-3
- EC
- 406-760-3, 609-997-2
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Long-term
Alternative labels
2- 2,3,4,5-Tetrachlorobenzoyl chloride
- Benzoyl chloride, 2,3,4,5-tetrachloro-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | ded86c31-25e8-4f75-b014-15e9fcfb1614 | 2,3,4,5-tetrachlorobenzoylchloride | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
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
{
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7HCl5O"
],
"attested_by": {
"C7HCl5O": [
"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:5463797"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"IROWIXYGGPOJFJ-UHFFFAOYSA-N"
],
"attested_by": {
"IROWIXYGGPOJFJ-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:5463797"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,4,5-tetrachlorobenzoyl Chloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
]
},
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,4,5-tetrachlorobenzoylchloride"
]
}
],
"attested_by": {
"O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,4,5-tetrachlorobenzoyl Chloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
]
},
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,4,5-tetrachlorobenzoylchloride"
]
}
],
"attested_by": {
"InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,3,4,5-tetrachlorobenzoyl Chloride",
"2,3,4,5-tetrachlorobenzoylchloride"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,4,5-tetrachlorobenzoyl Chloride",
"2,3,4,5-tetrachlorobenzoylchloride"
]
},
"attested_by": {
"2,3,4,5-tetrachlorobenzoyl Chloride": [
"opsin_iupac"
],
"2,3,4,5-tetrachlorobenzoylchloride": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
278.349
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
],
"attested_by": {
"278.349": [
"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": [
275.847003
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
],
"attested_by": {
"275.847003": [
"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=J152.978A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5463797;CAS:42221-52-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.100.832",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5463797;CAS:42221-52-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.107.512",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5463797;CAS:42221-52-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=42221-52-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5463797;CAS:42221-52-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID00420183",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5463797;CAS:42221-52-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/5463797",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5463797;CAS:42221-52-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[42221-52-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72504739",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5463797;CAS:42221-52-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[42221-52-3]"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "ded86c31-25e8-4f75-b014-15e9fcfb1614",
"identifier": "ded86c31-25e8-4f75-b014-15e9fcfb1614",
"source": "EF 3.1",
"cas_numbers": [
"42221-52-3"
],
"ec_numbers": [
"406-760-3"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Long-term"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 0.0
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 0.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"prefLabel": [
{
"@value": "2,3,4,5-tetrachlorobenzoyl Chloride",
"@language": "en",
"@lang": "en",
"source": {
"prov:wasGeneratedBy": "substance_label_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "flow_object.prefLabel (fo-b04116df67e1c286)"
}
}
],
"altLabel": [
{
"@value": "2,3,4,5-Tetrachlorobenzoyl chloride",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42221-52-3",
"https://commonchemistry.cas.org/detail?cas_rn=42221-52-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzoyl chloride, 2,3,4,5-tetrachloro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:42221-52-3",
"https://commonchemistry.cas.org/detail?cas_rn=42221-52-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-lote",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-b04116df67e1c286",
"concept_associations": [],
"http://www.w3.org/2002/07/owl#deprecated": true,
"http://purl.org/dc/terms/isReplacedBy": "urn:uuid:52d426ea-1d39-48f2-b6a5-df5f88d63067",
"is_replaced_by_uuid": "52d426ea-1d39-48f2-b6a5-df5f88d63067",
"_sources": {
"prefLabel": "substance_label_v1",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "link_flows_to_their_substance",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "consensus_match",
"cas_match_labels": "consensus_match",
"owl_deprecated": "pipeline.deduplication",
"dcterms_is_replaced_by": "pipeline.deduplication",
"is_replaced_by_uuid": "pipeline.deduplication",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"42221-52-3": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2,3,4,5-tetrachlorobenzoylchloride",
"synonyms": [
"organic",
"2,3,4,5-tetrachlorobenzoylchloride",
"2,3,4,5-tetrachlorbenzoylchlorid"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified (long-term)"
],
"cas_numbers": [
"42221-52-3"
],
"ec_numbers": [
"406-760-3"
],
"unit": "kg"
}
}Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works