Consensus flow list

Identity

Type
NeutralMolecule
CAS
530-62-1
EC
208-488-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1'-carbonylbis(1h-imidazole)

Alternative labels

19

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PFKFTWBEEFSNDU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H
IUPAC name chemrof:IUPAC_name 1,1'-carbonylbis(1h-imidazole)
Molecular formula chemrof:molecular_formula C7H6N4O
Molecular mass chemrof:molecular_mass 162.152
Monoisotopic mass chemrof:monoisotopic_mass 162.054161
SMILES string chemrof:smiles_string O=C(n1ccnc1)n1ccnc1

Known URLs

11

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=530-62-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.718 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9038761 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67203 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3903881 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/63A10X1FSP enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246922 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J182.298E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/68263 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q418617 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Carbonyldiimidazole enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d47fdf4d-54df-4248-a73c-92fe876bdda6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6ac0a4f0-c045-453c-b6dd-4280324ec362 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d2ae5c04-6cf8-4066-8478-1f701aab15c0 Environmental → Air → Indoor EF 3.1 kg 2
dd09fedc-f197-4225-be71-c164f82bd85c Environmental → Air → Long-term EF 3.1 kg 0
ddd265b6-dc2a-4115-8766-ede769245753 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
edd10461-cf52-49fb-b56a-a1425771c397 Environmental → Air → Unknown EF 3.1 kg 2
dce7f04c-1ebe-4fc1-9945-3334e9777b3f Environmental → Ground → Agricultural EF 3.1 kg 2
dae69de2-6a7d-4c30-b7aa-e5b8ee26dd9d Environmental → Ground → Non-agricultural EF 3.1 kg 2
803ca0d3-acdd-48d8-b2a7-dff1be695328 Environmental → Ground → Unknown EF 3.1 kg 2
11ad9c10-acfa-4965-ba62-27cb3058db4d Environmental → Water → Long-term EF 3.1 kg 0
d3eed8d9-c82b-44ad-8288-69b14b691ebd Environmental → Water → Ocean EF 3.1 kg 2
954e99db-7ee4-47af-adbc-9995112353c3 Environmental → Water → Surface water EF 3.1 kg 2
c2071239-3e16-436a-8fb5-f689bbc1ca18 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dfede86e534eb6c6",
  "prefLabel": [
    {
      "@value": "1,1'-carbonylbis(1h-imidazole)",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
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      "@value": "Bis(1H-imidazol-1-yl)methanone",
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    {
      "@value": "Imidazole, 1,1′-carbonyldi-",
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    {
      "@value": "Methanone, di-1H-imidazol-1-yl-",
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    {
      "@value": "N,N-Carbonyldiimidazole",
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