Chlorocyclohexane
fo-e5940fafb697ad7a
Identity
- Type
- Neutral molecule
- CAS
- 542-18-7
- EC
- 208-806-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
5- Chlorcyclohexan
- Chlorzyklohexan
- Cyclohexane, chloro-
- cyclohexyl chloride
- monochlorocyclohexane
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UNFUYWDGSFDHCW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2 |
| IUPAC name chemrof:IUPAC_name | Chlorocyclohexane |
| Molecular formula chemrof:molecular_formula | C6H11Cl |
| Molecular mass chemrof:molecular_mass | 118.607 |
| Monoisotopic mass chemrof:monoisotopic_mass | 118.054928, 118.05493 |
| SMILES string chemrof:smiles_string | ClC1CCCCC1 |
Known URLs
17Where 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=542-18-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39156 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.006 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3052193 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8434 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:49925 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PNV8C821FH | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.598I | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56175 | enrich_references.pubchem_identifier_url |
| patent | patent:CN1660730 | enrich_references.chebi_xrefs |
| patent | patent:JP2008239610 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10952 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17037866 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20698523 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1900796 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q15402014 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Cyclohexyl_chloride | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| efdd7c43-e28f-44b4-8d4e-78d56794aedd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 8ffb62d3-3d27-41d0-99ce-583b876a8b1a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 4bf0cb52-abe6-46de-9ff0-131313f0d9ce | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 3d51eee4-1bc0-4173-933c-e6a2f206c951 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c0af1a9b-2a64-47da-854a-3b6e7ed3a02e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 24c04157-6409-4e5e-883d-916b8cc34dcf | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 7e5c6b2a-0bcf-4144-870e-a680086ea3ca | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 00646ef7-23fb-4e28-a6db-177dacb92924 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6f83ee05-3cfa-45da-b0f9-6a9a9ed47b42 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 538f76aa-867a-4c43-a0f8-48514cd89406 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a3ea1f3b-05f1-40ad-ae88-f09a2da1f580 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e8371ac9-5cf5-49ba-a049-79090237dfbf | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 7b6920ac-da3c-4428-adc3-282fa60edcc9 | 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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"@value": [
"208-806-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=208-806-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A chlorocyclohexane carrying a single chloro group.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39156"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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