1,3-dichloropropane
fo-5e62a5d568601c19
Identity
- Type
- Neutral molecule
- CAS
- 142-28-9
- EC
- 205-531-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
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- CH2ClCH2CH2Cl
- Cl(CH2)3Cl
- ClCH2CH2CH2Cl
- Propane, 1,3-dichloro-
- R 270fa
- trimethylene dichloride
Properties
| Property | Value |
|---|---|
| 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
20Where 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 | 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)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works