4-nitrophenol
fo-b7264fc84d089c66
Identity
- Type
- Neutral molecule
- CAS
- 100-02-7
- EC
- 202-811-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
9- 1-Hydroxy-4-nitrobenzene
- 4-Hydroxy-1-nitrobenzene
- 4-Hydroxynitrobenzene
- Niphen
- p-hydroxynitrobenzene
- P-NITROPHENOL
- paranitrophenol
- Phenol, 4-nitro-
- Phenol, p-nitro-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BTJIUGUIPKRLHP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H |
| IUPAC name chemrof:IUPAC_name | 4-nitrophenol |
| Molecular formula chemrof:molecular_formula | C6H5NO3 |
| Molecular mass chemrof:molecular_mass | 139.11 |
| Monoisotopic mass chemrof:monoisotopic_mass | 139.02694, 139.026943 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])c1ccc(O)cc1 |
Known URLs
30Where 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=100-02-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16836 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.556 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0066 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0021834 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB04417 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04417 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1317 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14130 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:3311 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y92ZL45L4R | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001232 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2908.99.20.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J351.565F | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.001K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00870 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00870 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37674 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=P-NITROPHENOL | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:NPO | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL14130 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/980 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1663 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019393 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19365648 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1281877 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0086 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q656269 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/4-Nitrophenol | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/4-nitrophenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3562e3a9-eebf-4cf0-80e9-a616cc1a53ea | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 9d079feb-e7b6-4a32-97c5-cc4dcebd0725 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 041de85e-33c3-45e0-9322-1bc585f3fae2 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 3b23c101-a6cf-4809-a563-ed3d2b030490 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b0ec2116-e45f-4d2f-8760-df9e5c3f5a2c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 5125cd7a-530b-4d65-8bb9-ab43a475842c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 748e0429-6947-49b0-aaec-bbee0375e2ef | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 0bf1ee4c-c084-467d-9c2c-c5d8f0e500fc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 7d50176b-1ac9-48ec-9e61-4340babc0b28 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c5eac8be-f465-440e-8ea6-9a2113f980e5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 198dc959-cbe5-4621-ba28-cdb6e7a7a08d | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e92e2617-3e6f-45f3-9cf3-4e7a05281cfd | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 718bec35-2ec0-4f6f-b530-b463c61c3595 | 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