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Malononitrile

fo-f9f3dd0ac2ae7eae

Identity

Type
Neutral molecule
CAS
109-77-3
EC
203-703-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Malononitrile

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CUONGYYJJVDODC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
IUPAC name chemrof:IUPAC_name Malononitrile
Molecular formula chemrof:molecular_formula C3H2N2
Molecular mass chemrof:molecular_mass 66.063
Monoisotopic mass chemrof:monoisotopic_mass 66.021798, 66.0218
SMILES string chemrof:smiles_string N#CCC#N

Known URLs

20

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=109-77-3 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/OO3010B0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33186 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.368 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1466 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021907 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3769 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187514 enrich_references.pubchem_identifier_url
gmelin gmelin:1303 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EBL1KKS93J enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254315 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2926.90.50.10 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.439B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54858 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8010 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2647 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24683341 enrich_references.chebi_xrefs
reaxys reaxys:773697 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q419572 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Malononitrile enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
6e4cd667-0d55-477a-8558-32474b0324f7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
96646fee-581e-46bf-a3c2-e778d89dc807 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a4eec711-8559-4ca6-9ad8-e93770e3df61 Environmental → Air → Indoor EF 3.1 kg 2
4d2bc124-10fa-413c-9d82-4c86af88fc0b Environmental → Air → Long-term EF 3.1 kg 0
f57fc5a6-affb-4ed7-874e-a402fced6f52 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ae9de7be-1373-4b6a-a334-24301c06501c Environmental → Air → Unknown EF 3.1 kg 2
f807c498-4b82-46cd-90ef-f15b63b8ecfa Environmental → Ground → Agricultural EF 3.1 kg 2
894ec991-8799-4b04-92d5-35cecb7a36aa Environmental → Ground → Non-agricultural EF 3.1 kg 2
7420f71a-079e-4dca-8d0c-8d2df428a72f Environmental → Ground → Unknown EF 3.1 kg 2
3ee0e2d9-ddd0-431d-8d9f-bc98c65521e0 Environmental → Water → Long-term EF 3.1 kg 0
0272fc7f-9cfc-4b28-a633-d6b2acd9a682 Environmental → Water → Ocean EF 3.1 kg 2
e14f8d63-77d0-49f8-95f2-396d0bb852f4 Environmental → Water → Surface water EF 3.1 kg 2
1d1e8401-d701-419f-983f-d09dcb4b4164 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
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    },
    {
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    },
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      "@value": "Methylene cyanide",
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