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2,6-dichloro-4-nitroaniline

fo-302a82362de22a71

Identity

Type
Neutral molecule
CAS
99-30-9
EC
202-746-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 2,6-dichloro-4-nitroaniline

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BIXZHMJUSMUDOQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
IUPAC name chemrof:IUPAC_name 2,6-dichloro-4-nitroaniline
Molecular formula chemrof:molecular_formula C6H4Cl2N2O2
Molecular mass chemrof:molecular_mass 207.016
Monoisotopic mass chemrof:monoisotopic_mass 205.96498, 205.964983
SMILES string chemrof:smiles_string Nc1c(Cl)cc([N+](=O)[O-])cc1Cl

Known URLs

24

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
agr agr:IND44384091 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=99-30-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27864 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.497 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0871 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020426 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=218 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL504381 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F0BE9UC5J7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245510 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.236A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11000 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11000 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67542 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C324 enrich_references.pubchem_identifier_url
pesticides pesticides:dicloran enrich_references.chebi_xrefs
ppdb ppdb:222 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7430 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1692105 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2625222 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8720094 enrich_references.chebi_xrefs
reaxys reaxys:1459581 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q2217808 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,6-Dichloro-4-nitroaniline enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
c16dd578-0526-4070-91cb-046602a9912e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ea40d66e-1845-43d7-a8d8-1a2c62dc16e4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
541bb607-e5e0-4120-b123-d5c9adb2538a Environmental → Air → Indoor EF 3.1 kg 4
f945759a-30fb-4e98-a588-ac3eb3dd9c34 Environmental → Air → Long-term EF 3.1 kg 0
ed5701fa-8c8a-447b-8a38-b746c4e2a3be Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9e6efd70-6e3d-4a12-b4fe-0dc006501730 Environmental → Air → Unknown EF 3.1 kg 4
ac9eaef7-de22-4373-8f5a-80a77c445d09 Environmental → Ground → Agricultural EF 3.1 kg 4
47e2e153-3586-4fd5-ae54-4dd2a5c641f3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fef940bcc50b6ba4ff68117dd1ad21a7fb9cfa77 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
3e1d5de3-6ef3-435b-8199-7a8c6a7fb886 Environmental → Ground → Unknown EF 3.1 kg 4
0a6c9f5c-471f-46de-91b1-a07b9e27d4c9 Environmental → Water → Long-term EF 3.1 kg 0
fe8b98c3-77bc-41b9-b022-57ed0463e6b5 Environmental → Water → Ocean EF 3.1 kg 4
483c0147-5669-4a0c-834e-93d92bab7fa5 Environmental → Water → Surface water EF 3.1 kg 4
cfd74337-c92a-4672-9b0f-1a1c77a7548d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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    },
    {
      "@value": "Dichloran",
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    {
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    },
    {
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    },
    {
      "@value": "Ditranil",
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