Consensus flow list

Identity

Type
Neutral molecule
CAS
62-23-7
EC
200-526-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-nitrobenzoic Acid

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OTLNPYWUJOZPPA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
IUPAC name chemrof:IUPAC_name 4-nitrobenzoic Acid
Molecular formula chemrof:molecular_formula C7H5NO4
Molecular mass chemrof:molecular_mass 167.12
Monoisotopic mass chemrof:monoisotopic_mass 167.021858, 167.02186
SMILES string chemrof:smiles_string O=C(O)c1ccc([N+](=O)[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=62-23-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:262350 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.479 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1684 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020966 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7707 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL101263 enrich_references.pubchem_identifier_url
gmelin gmelin:240788 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G83NWR61OW enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246532 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.346I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J485.889A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18625 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18625 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66939 enrich_references.pubchem_identifier_url
patent patent:CN101407464 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:4NB enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6108 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020862 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11695567 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21144253 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21426730 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21485294 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24068503 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24507395 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26044333 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9114347 enrich_references.chebi_xrefs
reaxys reaxys:973593 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2823227 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Nitrobenzoic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d86c88dc-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9d12-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
498af04a-7b2f-450b-8e0a-27e880891748 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9d11-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9d13-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9d10-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9d0e-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-b106-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9d0f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9d15-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b107-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9d14-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-b105-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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