Consensus flow list

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

Structure diagram for 4-nitrophenol

Alternative labels

9

Properties

PropertyValue
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

30

Where 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.org 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)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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    },
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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    {
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