Bromofenoxim
fo-f7736ae27d519f3d
Identity
- Type
- Neutral molecule
- CAS
- 13181-17-4
- EC
- 236-129-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
2
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
10- 3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime
- 3,5-Dibromo-4-hydroxybenzaldehyde O-(2,4-dinitrophenyl)oxime
- 3,5-Dibromo-4-hydroxybenzaldoxime 2,4-dinitrophenyl ether
- Benzaldehyde, 3,5-dibromo-4-hydroxy-, O-(2,4-dinitrophenyl)oxime
- Bromfenoxim
- Bromfenoxime
- Bromophenoxim
- Bromophenoxime
- Bromphenoxim
- Faneron
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XTFNPKDYCLFGPV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H |
| IUPAC name chemrof:IUPAC_name | 3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime |
| Molecular formula chemrof:molecular_formula | C13H7Br2N3O6 |
| Molecular mass chemrof:molecular_mass | 461.022 |
| Monoisotopic mass chemrof:monoisotopic_mass | 458.870159 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1 |
Known URLs
4Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=13181-17-4 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1041681 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/25763 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126677911 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 479e6d3b-35ca-4c33-addc-623fcb80c53f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6bd01eda-3209-4a9e-bccb-98274160b826 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| b95a8efc-babf-4946-9e67-6162e1bc0104 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| ddb6af88-10fd-4b7d-a159-a6a8c0ffc9a1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| bc22626b-b980-485f-bfa7-70038bf97c8e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 32f985ed-64dd-414c-8694-feae630c1d0d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ad7d87dc-11c0-44ae-8e63-0f6c752017a6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| f6fa7ebc-2120-4b75-b113-7edd4798e5db | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b40bcb9a25f88f8a63382d8f472015bc187b331f | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| ea10b561-7d0c-49e4-b0fa-a6d64380a32b | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 0f00e600-685f-450a-bcbd-d3e5b1583598 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ce5e3fbb-ac2a-4419-923a-3f29599faa2e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 5980dd39-6a39-43bf-907f-fe655f9f9738 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 93c49fa1-21a5-42ab-9883-df6244bd6904 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-f7736ae27d519f3d",
"prefLabel": [
{
"@value": "Bromofenoxim",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,5-Dibromo-4-hydroxybenzaldehyde O-(2,4-dinitrophenyl)oxime",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,5-Dibromo-4-hydroxybenzaldoxime 2,4-dinitrophenyl ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzaldehyde, 3,5-dibromo-4-hydroxy-, O-(2,4-dinitrophenyl)oxime",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bromfenoxim",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bromfenoxime",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bromophenoxim",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bromophenoxime",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bromphenoxim",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Faneron",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H7Br2N3O6"
],
"attested_by": {
"C13H7Br2N3O6": [
"enrich_references.commonchemistry_semantic",
"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:25763"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "enrich_references.commonchemistry_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4"
],
"prov:wasDerivedFrom": "commonchemistry.molecularFormula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XTFNPKDYCLFGPV-UHFFFAOYSA-N"
],
"attested_by": {
"XTFNPKDYCLFGPV-UHFFFAOYSA-N": [
"enrich_references.commonchemistry_semantic",
"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:25763"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "enrich_references.commonchemistry_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13181-17-4"
],
"prov:wasDerivedFrom": "commonchemistry.inchiKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1"
]
}
],
"attested_by": {
"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1"
]
}
],
"attested_by": {
"InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime"
]
},
"attested_by": {
"3,5-Dibromo-4-hydroxybenzaldehyde 2,4-dinitrophenyl oxime": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
461.022
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ON=CC2=CC(=C(C(=C2)Br)O)Br"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1"
]
}
],
"attested_by": {
"461.022": [
"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": [
458.870159
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ON=CC2=CC(=C(C(=C2)Br)O)Br"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1"
]
}
],
"attested_by": {
"458.870159": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=13181-17-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25763;CAS:13181-17-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[13181-17-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1041681",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25763;CAS:13181-17-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[13181-17-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/25763",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25763;CAS:13181-17-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[13181-17-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126677911",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:25763;CAS:13181-17-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[13181-17-4]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0f00e600-685f-450a-bcbd-d3e5b1583598",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"13181-17-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=13181-17-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"236-129-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=236-129-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
"rdfs:label": "herbicide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works