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Nitrapyrin

fo-9ead5e6e6fd308dc

Identity

Type
Neutral molecule
CAS
1929-82-4
EC
217-682-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Nitrapyrin

What it is used for

1

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

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DCUJJWWUNKIJPH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
IUPAC name chemrof:IUPAC_name 2-chloro-6-(trichloromethyl)pyridine
Molecular formula chemrof:molecular_formula C6H3Cl4N
Molecular mass chemrof:molecular_mass 230.909
Monoisotopic mass chemrof:monoisotopic_mass 228.90196
SMILES string chemrof:smiles_string Clc1cccc(C(Cl)(Cl)Cl)n1

Known URLs

40

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:IND22022387 enrich_references.chebi_xrefs
agr agr:IND23320247 enrich_references.chebi_xrefs
agr agr:IND43720278 enrich_references.chebi_xrefs
agr agr:IND44319834 enrich_references.chebi_xrefs
agr agr:IND601141573 enrich_references.chebi_xrefs
agr agr:IND605403670 enrich_references.chebi_xrefs
agr agr:IND605964521 enrich_references.chebi_xrefs
agr agr:IND79018001 enrich_references.chebi_xrefs
agr agr:IND91011794 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1929-82-4 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/US72D288.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81935 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.076 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1658 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0024216 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1557091 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8PCE86U01W enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.789B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18751 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18751 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=NITRAPYRIN enrich_references.chebi_xrefs
pesticides pesticides:nitrapyrin enrich_references.chebi_xrefs
ppdb ppdb:1200 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16004 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/14535319 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16346465 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16346799 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18367300 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28481923 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29732772 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30373060 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31589683 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31589718 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31796286 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8941709 enrich_references.chebi_xrefs
reaxys reaxys:1618997 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q1993935 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Nitrapyrin enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
1f30fd64-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a4b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2dc728e8-10e7-409a-ac28-7033c97babda Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a4a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a4c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a49-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a47-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a50-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a48-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a4e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a51-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a4d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
37ef41f7aad14baadf9bba4344c70ce896e5d32e Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9a4f-0050c2490048 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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