5-nitroacenaphthene

1,2-Dihydro-5-nitroacenaphthylene
Acenaphthene, 5-nitro-
Acenaphthylene, 1,2-dihydro-5-nitro-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	CUARLQDWYSRQDF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
IUPAC name chemrof:IUPAC_name	5-nitroacenaphthene
Molecular formula chemrof:molecular_formula	C12H9NO2
Molecular mass chemrof:molecular_mass	199.209
Monoisotopic mass chemrof:monoisotopic_mass	199.063329, 199.06333
SMILES string chemrof:smiles_string	O=[N+]([O-])c1ccc2c3c(cccc13)CC2

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=602-87-9	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82350	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.114	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3020960	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1312	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22421	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL423081	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F023F6C79X	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.490J	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C19269	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C19269	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11769	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2811	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27155891	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
172a16a3-6556-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a0d-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
5ea2e741-16c7-4643-958d-75714b8f0445	Environmental → Air → Indoor	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a0c-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-9a0e-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a0b-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a09-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a12-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a0a-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a10-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-9a13-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a0f-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	2
08a91e70-3ddc-11dd-9a11-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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        "https://echa.europa.eu/search-for-chemicals?query=210-025-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

5-nitroacenaphthene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard