Chloroneb
fo-be0591299bf29b7d
Identity
- Type
- Neutral molecule
- CAS
- 2675-77-6
- EC
- 220-222-3
- Origin
- ecoinvent-3.12 hybrid_name_cas_v1
- Changes
- 0 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 |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| fungicide CHEBI:24127 | A substance used to destroy fungal 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
6- 1,4-dichloro-2,5-dimethoxybenzene
- 2,5-dichloro-1,4-dimethoxybenzene
- chloronebe
- Demasan
- Demosan
- Terraneb
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PFIADAMVCJPXSF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 1,4-dichloro-2,5-dimethoxybenzene |
| Molecular formula chemrof:molecular_formula | C8H8Cl2O2 |
| Molecular mass chemrof:molecular_mass | 207.056 |
| Monoisotopic mass chemrof:monoisotopic_mass | 205.99013, 205.990135 |
| SMILES string chemrof:smiles_string | COc1cc(Cl)c(OC)cc1Cl |
Known URLs
12Where 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:IND83111917 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2675-77-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3628 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C11252 | enrich_references.chebi_xrefs |
| pesticides | pesticides:chloroneb | enrich_references.chebi_xrefs |
| ppdb | ppdb:145 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21428337 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/5163857 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/5786562 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6750388 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8000181 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1952749 | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5c46388594d4c586b5a0af1d15713336d0dc4b88 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| 7f61584ee6cbf71db1bfc4636c0d55344d192875 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| befd4c7df238d901bad516dea8febbb2cb04cbc9 | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| 3717dfcd6f0414adce9b3aac89a47ae7f72224c8 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 66fc0d50bfe6c3d451911b9380b79c1ffe40d625 | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| 35c299547adfc4a910a446750f38c667958f77e8 | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| f55c7c293a2dc4ad350c95c1a48ee7df5de682da | Environmental → Water → Unknown | ecoinvent algorithm addition | kg | 0 |
History
Everything that changed this substance (0 changes)
Full record
Flow object JSON
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"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}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