Epichlorohydrin
fo-219432791f55db28
Identity
- Type
- Neutral molecule
- CAS
- 106-89-8
- EC
- 203-439-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
30- (chloromethyl)ethylene oxide
- (Chloromethyl)oxirane
- (RS)-3-chloro-1,2-epoxypropane
- (RS)-Epichlorhydrin
- (±)-Epichlorohydrin
- 1,2-Epoxy-3-chloropropane
- 1-Chloro-2,3-epoxypropane
- 10: PN: WO2017021334 SEQID: 16 claimed sequence
- 2,3-epoxypropyl chloride
- 2-(chloromethyl)oxirane
- 3-chloro-1,2-epoxypropane
- 3-Chloro-1,2-propylene oxide
- 3-Chloropropene-1,2-oxide
- 3-Chloropropylene epoxide
- 3-Chloropropylene oxide
- alpha-epichlorohydrin
- chloromethyloxirane
- Chloropropylene oxide
- dl-α-Epichlorohydrin
- Epicerol
- Epoxychloropropane
- gamma-chloropropylene oxide
- Glycerol epichlorohydrin
- Glycidyl chloride
- MeSH ID: D004811
- Oxirane, (chloromethyl)-
- Oxirane, 2-(chloromethyl)-
- Propane, 1-chloro-2,3-epoxy-
- α-Epichlorohydrin
- γ-Chloropropylene oxide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BRLQWZUYTZBJKN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2 |
| IUPAC name chemrof:IUPAC_name | Epichlorohydrin |
| Molecular formula chemrof:molecular_formula | C3H5ClO |
| Molecular mass chemrof:molecular_mass | 92.525 |
| Monoisotopic mass chemrof:monoisotopic_mass | 92.00289, 92.002892 |
| SMILES string chemrof:smiles_string | ClCC1CO1 |
Known URLs
31Where 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:79785 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=106-89-8 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=24969-06-0 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/TX4AC4A0.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37144 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.128 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0043 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1020566 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6747 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1421613 | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G00261CT | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:164180 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/08OOR508C0 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0034232 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2910.30.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.037A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14449 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14449 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144475 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44381 | enrich_references.pubchem_identifier_url |
| patent | patent:US2011054197 | enrich_references.chebi_xrefs |
| ppdb | ppdb:1733 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7835 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2023 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17441735 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20547378 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8586023 | enrich_references.chebi_xrefs |
| reaxys | reaxys:79785 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0077 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q423083 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Epichlorohydrin | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f21438f9-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b0b9-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| edcbd835-84a9-4202-b30c-db485b6d495a | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b0b8-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-b0ba-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b0b7-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b0b5-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b0be-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b0b6-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b0bc-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a318-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-b0bb-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| 3d2b8569af44dc7a00c9f7508ea13feccd4119a1 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-b0bd-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
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{
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{
"@value": "alpha-epichlorohydrin",
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{
"@value": "chloromethyloxirane",
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{
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{
"@value": "dl-α-Epichlorohydrin",
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},
{
"@value": "Epicerol",
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},
{
"@value": "Epoxychloropropane",
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},
{
"@value": "gamma-chloropropylene oxide",
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{
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},
{
"@value": "Glycidyl chloride",
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{
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{
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},
{
"@value": "Propane, 1-chloro-2,3-epoxy-",
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},
{
"@value": "α-Epichlorohydrin",
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},
{
"@value": "γ-Chloropropylene oxide",
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],
"properties": {
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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