4-iodophenol
fo-3598394b56dfef92
Identity
- Type
- Neutral molecule
- CAS
- 540-38-5
- EC
- 208-745-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
9- 1-Iodo-4-hydroxybenzene
- 4-Hydroxyiodobenzene
- 4-hydroxyphenyl iodide
- 4-Jodphenol
- p-hydroxyiodobenzene
- p-iodophenol
- p-Jodphenol
- Phenol, 4-iodo-
- Phenol, p-iodo-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VSMDINRNYYEDRN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H |
| IUPAC name chemrof:IUPAC_name | 4-iodophenol |
| Molecular formula chemrof:molecular_formula | C6H5IO |
| Molecular mass chemrof:molecular_mass | 220.009 |
| Monoisotopic mass chemrof:monoisotopic_mass | 219.93851, 219.938513 |
| SMILES string chemrof:smiles_string | Oc1ccc(I)cc1 |
Known URLs
18Where 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:1904544 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=540-38-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:43521 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.951 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4052186 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03002 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=91464 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL56475 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:278758 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BH194BAK0B | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246477 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.759D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52340 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:IOL | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL56475 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10894 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27093973 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-Iodophenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0112830f-c103-4045-bcd8-f7699d27c357 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| cb619780-3220-4c5a-a2a2-d5c9e815aa73 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 8774e190-9380-40d1-b83e-2faf324952fc | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| cbc9a65e-eecc-4900-921d-c48a1eb6c210 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b31c530d-03f3-4f39-b646-1808b158b051 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d6e78adb-e826-446a-803e-624968279236 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 993e4cf0-134d-4152-bbfa-a88ec9163c66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| add076aa-ea82-4291-93b8-28d9f41f1f65 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 3fbee5f6-038d-46d9-b674-128ef6fcbc8f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 8fc61b3d-739f-4472-b9e9-76ec5cf917ed | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 517d20eb-4515-4a00-bf6e-f8b1aa754331 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b61c004d-8e56-43ad-a970-335d9d3ff3f8 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| fffce6ed-58af-4157-981a-656ea7942c43 | 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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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