4-Chlorocatechol
fo-2ace540bee1de3ef
Identity
- Type
- Neutral molecule
- CAS
- 2138-22-9
- EC
- 218-381-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
6- 1,2-Benzenediol, 4-chloro-
- 4-chloro-1,2-benzenediol
- 4-Chloro-1,2-dihydroxybenzene
- 4-chlorobenzene-1,2-diol
- 4-chloropyrocatechol
- Pyrocatechol, 4-chloro-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WWOBYPKUYODHDG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
| IUPAC name chemrof:IUPAC_name | 4-Chlorocatechol |
| Molecular formula chemrof:molecular_formula | C6H5ClO2 |
| Molecular mass chemrof:molecular_mass | 144.557 |
| Monoisotopic mass chemrof:monoisotopic_mass | 143.997807, 143.99781 |
| SMILES string chemrof:smiles_string | Oc1ccc(Cl)cc1O |
Known URLs
21Where 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=2138-22-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27772 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.016.711 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7022176 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:602391 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I01EXU3P3J | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0041810 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.798A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C02375 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C02375 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49553 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-9152 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:4CL | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16496 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017780 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23261399 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24057966 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24064298 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1907691 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0296 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27103321 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6ed84e4f-4d5c-442c-8041-425505df7d7a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 52b92ff1-334c-4735-8296-837b557c38cb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6314a578-127e-4980-bcd0-a1a92022c8f4 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 7bed0eca-592f-4179-bb94-34b31c298b52 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c2870201-b2b9-4cce-9745-10a08ed35bc9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4cf797cf-5c81-4aa5-95b0-f05d595d242e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d2d8d39d-6d6d-44f5-81ea-835453e85aaa | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 88a9a567-cd46-44d4-b68e-5ef4d88e4555 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| fb6d390b-9609-480f-b25c-dee4e13758aa | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 063212e9-d373-401e-8a50-6506e470fb90 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 80d5c98d-419c-4062-ae48-26bb7a2869b7 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 07a58d86-a4af-4694-8d55-dc5a2fc54c64 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 35848794-fc45-43ff-8f1d-62706b63e2a8 | 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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{
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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