Consensus flow list

Chlormequat Chloride

fo-3f2b8ed1be731e7d

Identity

Type
ChemicalSalt
CAS
999-81-5
EC
213-666-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Chlormequat Chloride

What it is used for

2

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
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

36

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UHZZMRAGKVHANO-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name (2-chloroethyl)trimethylammonium chloride
Molecular formula chemrof:molecular_formula C5H13Cl2N, C5H13ClN.Cl
Molecular mass chemrof:molecular_mass 158.072
Monoisotopic mass chemrof:monoisotopic_mass 157.0425, 157.042505
SMILES string chemrof:smiles_string C[N+](C)(C)CCCl.[Cl-]

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
agr agr:IND43634315 enrich_references.chebi_xrefs
agr agr:IND44259564 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=999-81-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137392 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.424 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0781 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6020303 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=34858 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL118539 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PPL2215L82 enrich_references.pubchem_identifier_url
pesticides pesticides:derivatives/chlormequat%20chloride enrich_references.chebi_xrefs
ppdb ppdb:143 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13836 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/26318380 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27165806 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27653211 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28214531 enrich_references.chebi_xrefs
reaxys reaxys:3563994 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q23050130 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
172b0116-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a623-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1991e1d4-43a9-4bc3-abdb-b72ef6e7f652 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a622-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9b9b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a621-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a61f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-aefc-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
39f3711634a9f066924ab2eaf222ad11eedbe3c0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a620-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9b9d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aefd-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9b9c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9b9e-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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    {
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    {
      "@value": "(β-Chloroethyl)trimethylammonium chloride",
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    {
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    {
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  ],
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