Disperse Blue 20302/2078
cca77f1e-6e2d-483d-98a3-af1173a01081
Identity
- Substance
- fo-1657577bf453fd1f Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Long-term
- CAS
- 850546-74-6
- EC
- 473-120-8
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Long-term
Alternative labels
3- N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester
- β-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-ethyl-, cyanomethyl ester
- β-Alanine, N-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-, cyanomethyl ester
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | cca77f1e-6e2d-483d-98a3-af1173a01081 | disperse blue 20302/2078 | 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 | cca77f1e-6e2d-483d-98a3-af1173a01081 | disperse blue 20302/2078 | Emissions/Emissions to air/Emissions to air, unspecified (long-term) | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4 (0 non-zero)
- European Commission — JRC 4 (0 non-zero)
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 | — | 0 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 0 | 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": "N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:850546-74-6",
"https://commonchemistry.cas.org/detail?cas_rn=850546-74-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-ethyl-, cyanomethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:850546-74-6",
"https://commonchemistry.cas.org/detail?cas_rn=850546-74-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "β-Alanine, N-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-, cyanomethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:850546-74-6",
"https://commonchemistry.cas.org/detail?cas_rn=850546-74-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C22H22BrN7O8"
],
"attested_by": {
"C22H22BrN7O8": [
"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:90138061"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GOAXCKDKIAWXNK-UHFFFAOYSA-N"
],
"attested_by": {
"GOAXCKDKIAWXNK-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:90138061"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC"
]
}
],
"attested_by": {
"CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C22H22BrN7O8/c1-4-28(7-5-21(32)38-8-6-24)18-11-16(25-13(2)31)17(12-20(18)37-3)26-27-22-15(23)9-14(29(33)34)10-19(22)30(35)36/h9-12H,4-5,7-8H2,1-3H3,(H,25,31)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC"
]
}
],
"attested_by": {
"InChI=1S/C22H22BrN7O8/c1-4-28(7-5-21(32)38-8-6-24)18-11-16(25-13(2)31)17(12-20(18)37-3)26-27-22-15(23)9-14(29(33)34)10-19(22)30(35)36/h9-12H,4-5,7-8H2,1-3H3,(H,25,31)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester"
]
},
"attested_by": {
"N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-β-alanine cyanomethyl ester": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
592.363
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CCC(=O)OCC#N)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC"
]
}
],
"attested_by": {
"592.363": [
"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": [
591.071323
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CCC(=O)OCC#N)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CCC(=O)OCC#N)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC"
]
}
],
"attested_by": {
"591.071323": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.116.071",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:90138061;CAS:850546-74-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[850546-74-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=850546-74-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:90138061;CAS:850546-74-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[850546-74-6]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID301107175",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:90138061;CAS:850546-74-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[850546-74-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/90138061",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:90138061;CAS:850546-74-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[850546-74-6]"
}
}
],
"prefLabel": [
{
"@value": "Disperse Blue 20302/2078",
"@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": "cca77f1e-6e2d-483d-98a3-af1173a01081",
"identifier": "cca77f1e-6e2d-483d-98a3-af1173a01081",
"source": "EF 3.1",
"cas_numbers": [
"850546-74-6"
],
"ec_numbers": [
"473-120-8"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Long-term"
},
"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": 0.0
},
{
"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
},
{
"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": 0.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-lote",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-1657577bf453fd1f",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/cca77f1e-6e2d-483d-98a3-af1173a01081",
"skos:prefLabel": "disperse blue 20302/2078",
"context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/cca77f1e-6e2d-483d-98a3-af1173a01081"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/cca77f1e-6e2d-483d-98a3-af1173a01081"
},
"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": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"850546-74-6": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "disperse blue 20302/2078",
"synonyms": [
"organic",
"blau20302/2078"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified (long-term)"
],
"cas_numbers": [
"850546-74-6"
],
"ec_numbers": [
"473-120-8"
],
"unit": "kg"
}
}