3-chlorobenzoic Acid
fo-e9c55b91857cc00a
Identity
- Type
- Neutral molecule
- CAS
- 535-80-8
- EC
- 208-618-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
3- Benzoic acid, 3-chloro-
- Benzoic acid, m-chloro-
- m-chlorobenzoic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LULAYUGMBFYYEX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| IUPAC name chemrof:IUPAC_name | 3-chlorobenzoic Acid |
| Molecular formula chemrof:molecular_formula | C7H5ClO2 |
| Molecular mass chemrof:molecular_mass | 156.568 |
| Monoisotopic mass chemrof:monoisotopic_mass | 155.997807, 155.99781 |
| SMILES string chemrof:smiles_string | O=C(O)c1cccc(Cl)c1 |
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 |
|---|---|---|
| agr | agr:IND44746242 | enrich_references.chebi_xrefs |
| beilstein | beilstein:907218 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=535-80-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49410 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.837 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9024770 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8443 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL20563 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:3664 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/02UOJ7064K | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001544 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.164H | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37861 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-3486 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:3BZ | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/447 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166726 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22805844 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24082747 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3107223 | enrich_references.chebi_xrefs |
| reaxys | reaxys:907218 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2823210 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/3-Chlorobenzoic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7937dee2-ce35-48fc-ac9c-580e36b1770a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 7f862fec-d969-44a6-81fd-b760f2034924 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 7184c7d8-9e1f-4109-b5f9-d87fd0e4534f | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 41237e60-94a4-4007-9e1b-f46a8d7ba5f1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 05be8139-b0aa-4451-938c-978b148b0487 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| f27d6acb-f71e-4abc-9855-3eac625dc78c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 48d1166f-c3b0-4a44-b44f-08eb9df19e9b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 32cf44b9-0e1a-44d8-a0df-b062980a4f48 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a0583f55-1213-461b-b869-3103678f2a4c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 10a74bd8-fbe9-4b00-9f8f-0e6859cfe7b9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a3374c3f-8669-40b6-8168-4ebfb8a4a767 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d54614ee-527a-4121-bf19-fb60537ec8af | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 72ef1a94-e9b9-4588-a746-7b6fb117a0ee | 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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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