2,6-dinitrophenol
fo-a027455825359848
Identity
- Type
- Neutral molecule
- CAS
- 573-56-8
- EC
- 209-357-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
7- 2,6-DNP
- beta-dinitrophenol
- dinitro-2,6-phenol
- o-dinitrophenol
- Phenol, 2,6-dinitro-
- Phenol, β-dinitro-
- β-Dinitrophenol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JCRIDWXIBSEOEG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H |
| IUPAC name chemrof:IUPAC_name | 2,6-dinitrophenol |
| Molecular formula chemrof:molecular_formula | C6H4N2O5 |
| Molecular mass chemrof:molecular_mass | 184.107 |
| Monoisotopic mass chemrof:monoisotopic_mass | 184.01202, 184.012021 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])c1cccc([N+](=O)[O-])c1O |
Known URLs
15Where 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 |
|---|---|---|
| beilstein | beilstein:1913410 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=573-56-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39357 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.508 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5022063 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6215 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3278560 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:102230 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F4QM4I92KC | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245520 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.366J | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56260 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11312 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1320 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q20856130 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| dfa14765-ddd7-4bb0-a195-f107ca0b995f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f4022e0f-a934-4e87-9e87-8b26596d4442 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9128d06b-e658-415b-ac9d-a96c7eb8b630 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4f367104-e47b-43d1-a0a5-dc3e306aa189 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d221841a-8e1a-44f1-ac8f-0792d1f1ee1e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ed83c093-64c8-4a82-9ecf-5fe751b8597c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| db5d6216-5b01-4744-8a19-10a697047504 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| b98610e4-48c3-4fec-985d-80ff0f568b2a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c88047d4-5de6-464f-91c6-79d88df3bd13 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| eb0bab82-55a8-4495-9445-da1b81542bd6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2c27254f-0696-4d32-829e-8e4f8ed7fa21 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f0860131-d274-42fd-9754-21b5651a500e | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 2d45afbd-fcb4-445a-bca1-70854a7a8673 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"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": [
"573-56-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=573-56-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=573-56-8"
}
],
"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": [
"209-357-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=209-357-9"
],
"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"
]
}
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