4-chloro-2-nitrotoluene
c6f904ac-c821-483d-8281-1a593d99d11d
Identity
- Substance
- fo-ed62daabba6b0f10 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Indoor
- CAS
- 89-59-8
- EC
- 201-921-2
Context
- Dimension
- Environmental
- Indoor
- Unknown
- Media
- Air
Alternative labels
8- 1-Chloro-4-methyl-3-nitrobenzene
- 2-Methyl-5-chloronitrobenzene
- 2-Nitro-4-chlorotoluene
- 4-Chloro-1-methyl-2-nitrobenzene
- 4-Chloro-2-nitro-1-methylbenzene
- p-Chloro-o-nitrotoluene
- Benzene, 4-chloro-1-methyl-2-nitro-
- Toluene, 4-chloro-2-nitro-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | c6f904ac-c821-483d-8281-1a593d99d11d | 4-chloro-2-nitrotoluene | 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 | c6f904ac-c821-483d-8281-1a593d99d11d | 4-chloro-2-nitrotoluene | Emissions/Emissions to air/Emissions to air, indoor | 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 | — | 87.23 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 87.23 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 87.23 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 87.23 | 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-Chloro-4-methyl-3-nitrobenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:89-59-8",
"https://commonchemistry.cas.org/detail?cas_rn=89-59-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methyl-5-chloronitrobenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:89-59-8",
"https://commonchemistry.cas.org/detail?cas_rn=89-59-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Nitro-4-chlorotoluene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:89-59-8",
"https://commonchemistry.cas.org/detail?cas_rn=89-59-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Chloro-1-methyl-2-nitrobenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:89-59-8",
"https://commonchemistry.cas.org/detail?cas_rn=89-59-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Chloro-2-nitro-1-methylbenzene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:89-59-8",
"https://commonchemistry.cas.org/detail?cas_rn=89-59-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Chloro-o-nitrotoluene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:89-59-8",
"https://commonchemistry.cas.org/detail?cas_rn=89-59-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzene, 4-chloro-1-methyl-2-nitro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:89-59-8",
"https://commonchemistry.cas.org/detail?cas_rn=89-59-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Toluene, 4-chloro-2-nitro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:89-59-8",
"https://commonchemistry.cas.org/detail?cas_rn=89-59-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H6ClNO2"
],
"attested_by": {
"C7H6ClNO2": [
"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:6975"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(Cl)cc1[N+](=O)[O-]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"SQFLFRQWPBEDHM-UHFFFAOYSA-N"
],
"attested_by": {
"SQFLFRQWPBEDHM-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:6975"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(Cl)cc1[N+](=O)[O-]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1ccc(Cl)cc1[N+](=O)[O-]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-chloro-2-nitrotoluene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(Cl)cc1[N+](=O)[O-]"
]
}
],
"attested_by": {
"Cc1ccc(Cl)cc1[N+](=O)[O-]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-chloro-2-nitrotoluene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(Cl)cc1[N+](=O)[O-]"
]
}
],
"attested_by": {
"InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4-chloro-2-nitrotoluene"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-chloro-2-nitrotoluene"
]
},
"attested_by": {
"4-chloro-2-nitrotoluene": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
171.583
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(Cl)cc1[N+](=O)[O-]"
]
}
],
"attested_by": {
"171.583": [
"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": [
171.008706
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(Cl)cc1[N+](=O)[O-]"
]
}
],
"attested_by": {
"171.008706": [
"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=J59.690F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6975;CAS:89-59-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[89-59-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.001.747",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6975;CAS:89-59-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[89-59-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=89-59-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6975;CAS:89-59-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[89-59-8]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4058994",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6975;CAS:89-59-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[89-59-8]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5386",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6975;CAS:89-59-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[89-59-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PR8KNC8RQW",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6975;CAS:89-59-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[89-59-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6975",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6975;CAS:89-59-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[89-59-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q19820040",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6975;CAS:89-59-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[89-59-8]"
}
}
],
"prefLabel": [
{
"@value": "4-chloro-2-nitrotoluene",
"@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": "c6f904ac-c821-483d-8281-1a593d99d11d",
"identifier": "c6f904ac-c821-483d-8281-1a593d99d11d",
"source": "EF 3.1",
"cas_numbers": [
"89-59-8"
],
"ec_numbers": [
"201-921-2"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"indoor": "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": 87.23
},
{
"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": 87.23
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-ed62daabba6b0f10",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/c6f904ac-c821-483d-8281-1a593d99d11d",
"skos:prefLabel": "4-chloro-2-nitrotoluene",
"context": "Emissions/Emissions to air/Emissions to air, indoor",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/c6f904ac-c821-483d-8281-1a593d99d11d"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/c6f904ac-c821-483d-8281-1a593d99d11d"
},
"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",
"altLabel": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"89-59-8": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "4-chloro-2-nitrotoluene",
"synonyms": [
"4-chloro-2-nitrotoluene",
"4-chloro-1-methyl-2-nitrobenzene",
"2-Nitro-4-chlorotoluene",
"4,2-Chloronitrotoluene",
"4-Chloro-1-methyl-2-nitrobenzene",
"AC-11284",
"AC1L1NPY",
"AC1Q2EF2",
"AC1Q3LIQ",
"AKOS004904712",
"Benzene, 4-chloro-1-methyl-2-nitro-",
"Benzene, 4-chloro-1-methyl-3-nitro-",
"SBB063361",
"ST50405400",
"Toluene, 4-chloro-2-nitro-",
"Toluene, 4-chloro-2-nitro- (8CI)",
"p-Chloro-o-nitrotoluene"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, indoor"
],
"cas_numbers": [
"89-59-8"
],
"ec_numbers": [
"201-921-2"
],
"unit": "kg"
}
}