Consensus flow list

Identity

Type
NeutralMolecule
CAS
142-28-9
EC
205-531-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 1,3-dichloropropane

What it is used for

3

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
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

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YHRUOJUYPBUZOS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
IUPAC name chemrof:IUPAC_name 1,3-dichloropropane
Molecular formula chemrof:molecular_formula C3H6Cl2
Molecular mass chemrof:molecular_mass 112.987
Monoisotopic mass chemrof:monoisotopic_mass 111.984656, 111.98466
SMILES string chemrof:smiles_string ClCCCCl

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:IND23328194 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=142-28-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137978 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.029 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0724 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6022004 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6204 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL157427 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AJ1HQ2GUCP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.543G enrich_references.pubchem_identifier_url
patent patent:EP1067105 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8881 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1992 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/14709629 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28416262 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9008720 enrich_references.chebi_xrefs
reaxys reaxys:505960 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2436290 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,3-Dichloropropane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d79ad882-c05c-4dcc-b398-224b7c05501a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e2452733-b3d6-4c50-bc5a-bcd515fa719b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
06e1efbe-51cf-4bb0-bbf7-cbb87f2261a6 Environmental → Air → Indoor EF 3.1 kg 2
964f15c1-8928-41c9-9cfe-026926fdc7b7 Environmental → Air → Long-term EF 3.1 kg 0
e5d539e3-c247-4401-a9bf-7db014c87cff Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a18e470d-110a-4b66-bacf-03009d846295 Environmental → Air → Unknown EF 3.1 kg 2
8680306a-399b-4f36-99c1-8f7919a001d8 Environmental → Ground → Agricultural EF 3.1 kg 2
77d04846-9d32-48eb-a9d9-62ba21a5a7ee Environmental → Ground → Non-agricultural EF 3.1 kg 2
970b22e9-6de4-4f2d-8168-f9ecb703f214 Environmental → Ground → Unknown EF 3.1 kg 2
46d02786-95e2-4391-b1b2-535fb5ae9d9c Environmental → Water → Long-term EF 3.1 kg 0
739fba49-31cb-41d3-a697-d7bde94dd0ba Environmental → Water → Ocean EF 3.1 kg 2
255f2e61-263b-43f5-961e-c55f15d23e20 Environmental → Water → Surface water EF 3.1 kg 2
119ee365-ff2a-47cf-a4ba-052d87cc457b 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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