4-fluorophenol
fo-e0421aca8c705cbe
Identity
- Type
- Neutral molecule
- CAS
- 371-41-5
- EC
- 206-736-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
4- 4-Hydroxyphenyl fluoride
- p-fluorophenol
- Phenol, 4-fluoro-
- Phenol, p-fluoro-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RHMPLDJJXGPMEX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H |
| IUPAC name chemrof:IUPAC_name | 4-fluorophenol |
| Molecular formula chemrof:molecular_formula | C6H5FO |
| Molecular mass chemrof:molecular_mass | 112.103 |
| Monoisotopic mass chemrof:monoisotopic_mass | 112.03244, 112.032443 |
| SMILES string chemrof:smiles_string | Oc1ccc(F)cc1 |
Known URLs
20Where 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 |
|---|---|---|
| agr | agr:IND44791457 | enrich_references.chebi_xrefs |
| agr | agr:IND605741023 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=371-41-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42533 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.006.124 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0052047 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10295 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL56226 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K6DT6TR5E5 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.560A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C16485 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C16485 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-18912 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:FPN | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9732 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18228015 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22639088 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27864654 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1362752 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27460393 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2da0e922-b0bd-4c1d-918f-9e293ff9c5bc | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| a4ebedc0-24ac-4f50-879d-55ec72dc250f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 1013e943-0eb3-4cf6-a133-b79dad2b86f6 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 874c0b8d-92d0-4266-a3dd-961a0d82953c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 59db35db-27c5-4589-9b5b-2212d3628b32 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ccf1ec14-1584-491b-8304-f494dcacd8cd | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3ea12f39-03a2-4950-98a8-108c16de8721 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 5cbe99b9-384a-402e-a10f-1fa91833c56f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e11d7b41-af43-43df-8c7a-0124316bd643 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| d3581256-4c88-4d23-9afd-fe6872434d65 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f3990e56-b5f1-4aec-a30d-a8743fd4cd7f | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| cb1b49b1-b8b4-478b-84ff-31e486988027 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| dd4e073f-2db4-4e56-b2b5-d14f76e4a9b7 | 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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"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"371-41-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=371-41-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=371-41-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"206-736-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=206-736-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_42533"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@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