Consensus flow list

Identity

Type
NeutralMolecule
CAS
542-75-6
EC
208-826-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,3-dichloropropene

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

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UOORRWUZONOOLO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2
IUPAC name chemrof:IUPAC_name 1,3-bis(chloranyl)prop-1-ene, 1,3-dichloro-1-propene, 1,3-dichloroprop-1-ene
Molecular formula chemrof:molecular_formula C3H4Cl2
Molecular mass chemrof:molecular_mass 110.971
Monoisotopic mass chemrof:monoisotopic_mass 109.969005
SMILES string chemrof:smiles_string C(C=CCl)Cl

Known URLs

13

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=542-75-6 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/UC7ECCF0.html enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.024 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0995 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1022057 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561804 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250279 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42453 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44296 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24883 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2047 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q61854433 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,3-Dichloropropene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0d7a13d4-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
4d9a8790-3ddd-11dd-99d6-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
992a7fec-3892-4690-ae24-74d65d4628bf Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-99d5-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-99d7-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
4d9a8790-3ddd-11dd-99d4-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a143-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-99db-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a144-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-99d9-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-99dc-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
4d9a8790-3ddd-11dd-99d8-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
4d9a8790-3ddd-11dd-99da-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@value": "1-Propene, 1,3-dichloro-",
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    {
      "@value": "trans-3-Chloroallyl chloride",
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    },
    {
      "@value": "α,γ-Dichloropropylene",
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    {
      "@value": "γ-Chloroallyl chloride",
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  ],
  "properties": {
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        "C3H4Cl2"
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      "@value": [
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