Consensus flow list

(Z)-1,3-dichloropropene

fo-0aac342a6f4b10fd

Identity

Type
NeutralMolecule
CAS
10061-01-5
EC
233-195-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for (Z)-1,3-dichloropropene

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

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
nematicide CHEBI:25491 A substance used to destroy pests of the phylum Nematoda (roundworms). 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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UOORRWUZONOOLO-UPHRSURJSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-
Isomeric SMILES string chemrof:isomeric_smiles_string Cl/C=C\CCl
IUPAC name chemrof:IUPAC_name (Z)-1,3-dichloropropene, (z)-1,3-dichloropropene
Molecular formula chemrof:molecular_formula C3H4Cl2
Molecular mass chemrof:molecular_mass 110.971
Monoisotopic mass chemrof:monoisotopic_mass 109.969005, 109.96901
SMILES string chemrof:smiles_string ClC=CCCl

Known URLs

14

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=10061-01-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18809 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.030.165 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1032305 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6202 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/411B9UAH6H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.433D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06610 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06610 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53652 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5280970 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2047 enrich_references.pubchem_identifier_url
reaxys reaxys:1719557 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27109091 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7f395b1c-a68c-4d78-b21d-77a251678092 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ccd9f502-d95b-441c-9fd1-4b7d7138fb6b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
eb82990a-a2bf-4339-a8f6-61ab8f6e998a Environmental → Air → Indoor EF 3.1 kg 4
8935cd5c-325c-43f6-b146-93db626c79b7 Environmental → Air → Long-term EF 3.1 kg 0
d5c0ba15-bc5c-4ee5-a7f3-7befe67046a1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a801f660-f945-4a8d-9ee1-8d6a9e9421af Environmental → Air → Unknown EF 3.1 kg 4
c3947356-bfed-460f-a41e-33c712b342fc Environmental → Ground → Agricultural EF 3.1 kg 4
7c41317e-2641-425c-9487-0f71549b1063 Environmental → Ground → Non-agricultural EF 3.1 kg 4
58624e23-068e-487a-a9a1-ca77adcf8b0d Environmental → Ground → Unknown EF 3.1 kg 4
70491336-d09e-4a99-ab80-e181f192680b Environmental → Water → Long-term EF 3.1 kg 0
49141cda-ac72-42e0-bb64-87dd76e36e9a Environmental → Water → Ocean EF 3.1 kg 4
3dc2220f-70b6-4314-bc08-28b605933fa2 Environmental → Water → Surface water EF 3.1 kg 4
ed423a94-f3bc-4c79-a0da-880f25129a95 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON 
{
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