Propachlor
fo-994cfd7995f6be1d
Identity
- Type
- Neutral molecule
- CAS
- 1918-16-7
- EC
- 217-638-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 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 |
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | 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- 2-Chloro-N-(1-methylethyl)-N-phenylacetamide
- 2-chloro-N-isopropyl-N-phenylacetamide
- 2-chloro-N-isopropylacetanilide
- Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-
- Acetanilide, 2-chloro-N-isopropyl-
- Acilid
- Albrass
- alpha-chloro-N-isopropylacetanilid
- alpha-Chloro-N-isopropylacetanilide
- Bexton
- Bexton 4L
- Chloressigsaeure-N-isopropylanilid
- Kartex A
- Muharicid
- N-isopropyl-2-chloroacetanilide
- N-isopropyl-alpha-chloroacetanilide
- N-Isopropyl-α-chloroacetanilide
- Nitacid
- Niticid
- Propachlore
- Ramrod
- Ramrod 65
- Ramrod Flo
- Satecid
- α-Chloro-N-isopropylacetanilide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MFOUDYKPLGXPGO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-Chloro-N-(1-methylethyl)-N-phenylacetamide |
| Molecular formula chemrof:molecular_formula | C11H14ClNO |
| Molecular mass chemrof:molecular_mass | 211.692 |
| Monoisotopic mass chemrof:monoisotopic_mass | 211.07639, 211.076392 |
| SMILES string chemrof:smiles_string | CC(C)N(C(=O)CCl)c1ccccc1 |
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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=1918-16-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:19503 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.016.036 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4024274 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1394829 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/015443A483 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.384G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18759 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18759 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53706 | enrich_references.pubchem_identifier_url |
| pesticides | pesticides:propachlor | enrich_references.chebi_xrefs |
| ppdb | ppdb:543 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4931 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22953837 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7272464 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2103903 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0653 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2112916 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Propachlor | enrich_references.chebi_xrefs |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1f30fd61-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9828-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9461ae6a-0d7a-4387-8b35-606b4a87d814 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9827-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9829-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9826-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9824-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-982d-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 9ffa70c92f56be5a78ff8e9f65de81e83c9aa144 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9825-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-982b-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-982e-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 783d4074af1bb7a6a6d890ba98a1f8c9672dcec8 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-982a-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 76dac6163de2ccbd237cbfb1192fe08c935d2db3 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-982c-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 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