1-(1-chlorocyclopropyl)ethan-1-one
fo-84a7753a625df401
Identity
- Type
- Neutral molecule
- CAS
- 63141-09-3
- EC
- 613-147-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
4- 1-(1-Chlorocyclopropyl)ethanone
- 1-Acetyl-1-chlorocyclopropane
- 1-Chlorocyclopropyl methyl ketone
- Ethanone, 1-(1-chlorocyclopropyl)-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KADOHHPNWMXGNG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H7ClO/c1-4(7)5(6)2-3-5/h2-3H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 1-(1-chlorocyclopropyl)ethan-1-one |
| Molecular formula chemrof:molecular_formula | C5H7ClO |
| Molecular mass chemrof:molecular_mass | 118.563 |
| Monoisotopic mass chemrof:monoisotopic_mass | 118.018543 |
| SMILES string chemrof:smiles_string | CC(=O)C1(Cl)CC1 |
Known URLs
6Where 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=63141-09-3 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.129.451 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7074581 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SY6ZFX2Q76 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13214306 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82002862 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1281528a-69bf-425c-a8c4-7f292ac8110c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 957d1dba-7f55-431d-bad8-0c90cdb580b3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9886b830-c0f9-4284-98b8-6cc6ffc5ad13 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 1e3d9051-e2ff-4725-af4d-b227dfec79cb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b8f04612-fce1-403f-aae7-088912b05c98 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| c419f924-e366-46f4-9963-f55587a85dee | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| da6f1136-aec8-49da-b2ca-a4df30611734 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 71aef6ef-2ced-4bef-bbc1-0473938650ab | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 3d76528b-79ec-43f5-ad5c-c261e3cb0d2c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5b0bbcf3-08f7-4c65-85b8-c6e27485c399 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 780bb010-6a53-48bc-947c-55fdb297a20e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b371c02d-e24f-4176-922b-2accf843b206 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 536fdcd8-c06c-4c38-8a26-d2d83c78186b | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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- This is not that chemical
- This record is two substances, or it is a second copy of one
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