Chloroacetaldehyde
fo-c084c7c90513c58c
Identity
- Type
- Neutral molecule
- CAS
- 107-20-0
- EC
- 203-472-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
8- 2-Chloro-1-ethanal
- 2-Chloroacetaldehyde
- 2-Chloroethanal
- Acetaldehyde, 2-chloro-
- Acetaldehyde, chloro-
- Chloroaldehyde
- Monochloroacetaldehyde
- α-Chloroacetaldehyde
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QSKPIOLLBIHNAC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2 |
| IUPAC name chemrof:IUPAC_name | Chloroacetaldehyde |
| Molecular formula chemrof:molecular_formula | C2H3ClO |
| Molecular mass chemrof:molecular_mass | 78.498 |
| Monoisotopic mass chemrof:monoisotopic_mass | 77.98724, 77.987242 |
| SMILES string chemrof:smiles_string | O=CCCl |
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 |
|---|---|---|
| beilstein | beilstein:1071226 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=107-20-0 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/AB256250.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27871 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.158 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0706 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4020292 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL506976 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CF069F5D9C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0013860 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.060F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06754 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06754 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51492 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA166131319 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/33 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2232 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0003 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q1950418 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Chloroacetaldehyde | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f2146001-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ad09-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 5118d671-9199-445c-8b9e-242b44b93533 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ad08-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-ad0a-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ad07-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ad05-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ad0e-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ad06-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ad0c-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9a16-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ad0b-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c3c3991c942546aa2a1cd3dffc9b8686c3c33541 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-ad0d-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 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