Brightway Flows 1.0
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[(3-chlorophenyl)hydrazono]malononitrile

fo-119626522fcac7ed

Identity

Type
Neutral molecule
CAS
555-60-2
EC
209-103-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for [(3-chlorophenyl)hydrazono]malononitrile

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UGTJLJZQQFGTJD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H
IUPAC name chemrof:IUPAC_name [(3-chlorophenyl)hydrazono]malononitrile
Molecular formula chemrof:molecular_formula C9H5ClN4
Molecular mass chemrof:molecular_mass 204.62
Monoisotopic mass chemrof:monoisotopic_mass 204.02027, 204.020274
SMILES string chemrof:smiles_string N#CC(C#N)=NNc1cccc(Cl)c1

Known URLs

33

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
beilstein beilstein:1842102 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=555-60-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3259 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.277 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.2504.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7040990 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=88124 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL224214 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4D4NW27CG5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0249720 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.752I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11164 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11164 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-2341 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53030 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2603 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=097715 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19442682 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25557480 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26208452 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26351918 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29241732 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29277693 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29734380 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30123191 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31346323 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31956228 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32936131 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33096791 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33790590 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33837631 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2720515 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Carbonyl_cyanide_m-chlorophenyl_hydrazone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
4d5b455d-cf27-4454-8cd8-f3023dada244 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2558dd69-4ece-4660-97c0-0a3e921db1bd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7dc3455a-1eeb-48c5-971d-4064cc2b9c0b Environmental → Air → Indoor EF 3.1 kg 2
16ccd783-c92c-4542-9228-d7bd24d41852 Environmental → Air → Long-term EF 3.1 kg 0
7566eb74-a573-4b47-8a8e-d0867b43df1b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
71f0541f-cef3-4693-9e9a-1004a734bbdb Environmental → Air → Unknown EF 3.1 kg 2
bf323184-7a93-42d3-b42a-0519740ed128 Environmental → Ground → Agricultural EF 3.1 kg 2
65d75734-3320-4f33-aa93-63bd18f46dd7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
534c3ed7-bcf0-4e54-84e3-bd3210131e5d Environmental → Ground → Unknown EF 3.1 kg 2
0dd2329d-8454-4c80-a026-d1fb7144a09e Environmental → Water → Long-term EF 3.1 kg 0
aef90251-d9f7-44cf-9fdf-79ebde2e1b16 Environmental → Water → Ocean EF 3.1 kg 2
adbd80ee-9aab-445d-84e5-78ff16f2b22b Environmental → Water → Surface water EF 3.1 kg 2
3f46d689-7013-45a6-a327-332be7a120f6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "Mesoxalonitrile, (m-chlorophenyl)hydrazone",
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