Chloroprene
fo-3305057839d0848a
Identity
- Type
- Neutral molecule
- CAS
- 126-99-8
- EC
- 204-818-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
8- 1,3-Butadiene, 2-chloro-
- 2-Chlor-1,3-butadien
- 2-Chloro-1,3-buatdiene
- 2-Chloro-1,3-butadiene
- 2-chlorobuta-1,3-diene
- 2-chlorobutadiene
- MeSH ID: D002737
- β-Chloroprene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YACLQRRMGMJLJV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2 |
| IUPAC name chemrof:IUPAC_name | 2-Chloro-1,3-butadiene |
| Molecular formula chemrof:molecular_formula | C4H5Cl |
| Molecular mass chemrof:molecular_mass | 88.537 |
| Monoisotopic mass chemrof:monoisotopic_mass | 88.007978, 88.00798 |
| SMILES string chemrof:smiles_string | C=CC(=C)Cl |
Known URLs
23Where 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 |
|---|---|---|
| beilstein | beilstein:741875 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=126-99-8 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=9010-98-4 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/EI92DDA8.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39481 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.381 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0133 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5020316 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18589 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL555660 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:277888 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/42L93DWV3A | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0250123 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J384K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19208 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19208 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C19502 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56322 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44356 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/31369 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1991 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q410871 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Chloroprene | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7f2cdc9a-10e8-4189-bc5c-cc52f74c769d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| f712167b-1072-46ce-b261-f03b1c2fcc30 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| 23a2f7cb-5363-4c9d-8eae-68df46d22e84 | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| e6c64f10-fdce-44c8-9980-573937a668af | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| bbc8d04e-1c47-4272-b162-a9ca4d2cd28e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| f3895ac9-16aa-4ba6-89e8-54bed5cdbe1c | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| 898f270c-aa6a-4f90-85ed-34da9df00510 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| 26ea8daf-ac95-4723-8ef4-55614f59cd87 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| eb041449-3fe6-4847-8468-b74743d8a836 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| 0876cf08-b8c6-4b4a-96fa-32038434b5f7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4e5eb5e5-c88e-4cb4-90dc-f96f88fe94d8 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| 4e911cbf-77fe-4358-9a3e-6018682fc94c | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| f514e49d-b89d-401b-9999-14f807255562 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
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