Consensus flow list

Dichlorprop-P

fo-44dd69523a69f904

Identity

Type
NeutralMolecule
CAS
15165-67-0
EC
403-980-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
62 across every transformer

Structure

Structure diagram for Dichlorprop-P

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

What it is used for

4

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
herbicide CHEBI:24527 A substance used to destroy plant 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
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MZHCENGPTKEIGP-RXMQYKEDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O
IUPAC name chemrof:IUPAC_name (2R)-(+)-2-(2,4-dichlorophenoxy)propanoic acid
Molecular formula chemrof:molecular_formula C9H8Cl2O3
Molecular mass chemrof:molecular_mass 235.066
Monoisotopic mass chemrof:monoisotopic_mass 233.985049, 233.98505
SMILES string chemrof:smiles_string CC(Oc1ccc(Cl)cc1Cl)C(=O)O

Known URLs

18

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=15165-67-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75373 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.566 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.126.328 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0034851 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2252703 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0UD1MQP96O enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J293.375F enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C20685 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143672 enrich_references.pubchem_identifier_url
pesticides pesticides:dichlorprop-p enrich_references.chebi_xrefs
ppdb ppdb:219 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/119435 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22961377 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23312320 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23509020 enrich_references.chebi_xrefs
reaxys reaxys:3203101 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27145258 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
d786ffd7-80d2-4c71-b8b7-f2bd6510f1f3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9d469bce-0f06-4d6f-8160-c2b8f0830b77 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7ee5efec-0f84-4cd9-9b4a-e9c8405bd679 Environmental → Air → Indoor EF 3.1 kg 4
9f00fbee-8dd5-463e-928a-e3691ce247bc Environmental → Air → Long-term EF 3.1 kg 0
9926d160-dd44-45e1-801e-08bde348d177 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
34fa76f8-8d1b-42e2-86b8-8e730d0dd620 Environmental → Air → Unknown EF 3.1 kg 4
20cefd2c-4475-4cd2-9fd2-6bebaadb6ba2 Environmental → Ground → Agricultural EF 3.1 kg 4
4327963f-6838-406e-a124-ded27928bce1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6a81669421cca96f23acf8b8e33c7af09e753910 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
afc4d202-1d30-42b7-9b83-faa644c5e966 Environmental → Ground → Unknown EF 3.1 kg 4
9935c1cf-3b24-49af-b0b4-25937079e67c Environmental → Water → Long-term EF 3.1 kg 0
af144c5c-2f11-4b01-8416-0375d03101b9 Environmental → Water → Ocean EF 3.1 kg 4
766ef73b-416f-4bcc-99a5-5016a56ab932 Environmental → Water → Surface water EF 3.1 kg 4
bb28fb14-7216-408d-9ea9-b9c9efc327cb Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (62 changes)

Open the changes page

Full record

Flow object JSON 
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