Consensus flow list

Identity

Type
NeutralMolecule
CAS
78-87-5
EC
201-152-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 1,2-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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KNKRKFALVUDBJE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
IUPAC name chemrof:IUPAC_name 1,2-dichloropropane
Molecular formula chemrof:molecular_formula C3H6Cl2
Molecular mass chemrof:molecular_mass 112.987
Monoisotopic mass chemrof:monoisotopic_mass 111.984656
SMILES string chemrof:smiles_string CC(Cl)CCl

Known URLs

26

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=78-87-5 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TX92DDA8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82163 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.048 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0441 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020448 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1237 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL44641 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RRZ023OFWL enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244069 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2903.19.05.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.486I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19034 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19034 enrich_references.pubchem_identifier_url
pesticides pesticides:1,2-dichloropropane enrich_references.chebi_xrefs
ppdb ppdb:1191 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6564 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1279 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21070183 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28527381 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29863124 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29973469 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30240022 enrich_references.chebi_xrefs
reaxys reaxys:1718880 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q161478 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2-Dichloropropane enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
e2faddcb-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-ab1d-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
1e981262-41a0-4664-bc78-e49fb9b42891 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-ab1c-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ab1e-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-ab1b-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
08a91e70-3ddc-11dd-9850-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-ab22-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
0d41642cb0cd688b382e11167cff5cf48f276f90 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9851-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-ab20-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ab23-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
fe0acd60-3ddc-11dd-ab1f-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-ab21-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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    {
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