Consensus flow list

2-Chlorobenzylidenemalononitrile

fo-ca4e889b179c2677

Identity

Type
Neutral molecule
CAS
2698-41-1
EC
220-278-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 2-Chlorobenzylidenemalononitrile

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JJNZXLAFIPKXIG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
IUPAC name chemrof:IUPAC_name 2-Chlorobenzylidenemalononitrile
Molecular formula chemrof:molecular_formula C10H5ClN2
Molecular mass chemrof:molecular_mass 188.617
Monoisotopic mass chemrof:monoisotopic_mass 188.014126, 188.01413
SMILES string chemrof:smiles_string N#CC(C#N)=Cc1ccccc1Cl

Known URLs

19

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=2698-41-1 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/OO381378.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:188626 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.435 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1065 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.16644.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9020297 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=542 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=637336 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1256101 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D8317IAV7Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245722 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.332D enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/CDJ2377HUYLZ enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17604 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2810 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3276 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=136210 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q209357 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
94dfe31d-79f0-4e04-8398-fde49e2ce742 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d18b9229-c02b-4455-aa27-f13789eb7937 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b64ac396-2f14-4608-99c0-50e966f1468f Environmental → Air → Indoor EF 3.1 kg 2
84337d90-a96c-45d3-bc9b-7d8d001e261f Environmental → Air → Long-term EF 3.1 kg 0
48053293-05e4-4b90-917d-cb38a9d0c6c5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9bbca38e-000b-46b9-9342-0d7714823ddc Environmental → Air → Unknown EF 3.1 kg 2
34c4c082-2163-4022-9edf-a37e9ec6c058 Environmental → Ground → Agricultural EF 3.1 kg 2
aa85232d-4352-4a2a-b8bd-9a0322f68c3c Environmental → Ground → Non-agricultural EF 3.1 kg 2
a99ac460-5095-40dd-8cc6-21804709a978 Environmental → Ground → Unknown EF 3.1 kg 2
df335798-8fa5-4dd4-9bf3-bd260449d93d Environmental → Water → Long-term EF 3.1 kg 0
e4e5df24-6a78-44d2-8c78-e1171a5e7a93 Environmental → Water → Ocean EF 3.1 kg 2
2a0c1782-b890-4160-8278-9d6f2659b609 Environmental → Water → Surface water EF 3.1 kg 2
f2587e8d-7142-47e0-b060-3e6ef46d139f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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      "@value": "Malononitrile, (o-chlorobenzylidene)-",
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