Consensus flow list

Identity

Type
Neutral molecule
CAS
98-95-3
EC
202-716-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Nitrobenzene

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LQNUZADURLCDLV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
IUPAC name chemrof:IUPAC_name Nitrobenzene
Molecular formula chemrof:molecular_formula C6H5NO2
Molecular mass chemrof:molecular_mass 123.111
Monoisotopic mass chemrof:monoisotopic_mass 123.032028, 123.03203
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccccc1

Known URLs

28

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=98-95-3 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/DA62CCF8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27798 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.469 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0065 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020964 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9573 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15750 enrich_references.pubchem_identifier_url
gmelin gmelin:50357 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E57JCN6SSY enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041950 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.430.487H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.989F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06813 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06813 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49655 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=BENZENE-NO2 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44410 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:NBZ enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7416 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1662 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=169362 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11304127 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12595155 enrich_references.chebi_xrefs
reaxys reaxys:507540 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0313 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q407290 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Nitrobenzene enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
e2fba0fa-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-aa12-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
9dc3e152-529b-4652-aa0b-2fbed80a67f1 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-aa11-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aa13-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-aa10-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-aa0e-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-aa17-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-aa0f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-aa15-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aa18-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
4958555bf646b817fb23c1a5fef7a0d0b9244d3a Environmental → Water → River bafu algorithm addition kg 0
fe0acd60-3ddc-11dd-aa14-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
824a7a4bf57703eb9f2e6205080b7e6e5dbdb060 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-aa16-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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  ],
  "altLabel": [
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    },
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    },
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  ],
  "properties": {
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