2-bromophenol
fo-3eb708d190a93e5a
Identity
- Type
- Neutral molecule
- CAS
- 95-56-7
- EC
- 202-432-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
5- 2-Bromo-3-hydroxybenzene
- 2-Hydroxy-1-bromobenzene
- o-Bromophenol
- Phenol, 2-bromo-
- Phenol, o-bromo-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VADKRMSMGWJZCF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H |
| IUPAC name chemrof:IUPAC_name | 2-bromophenol |
| Molecular formula chemrof:molecular_formula | C6H5BrO |
| Molecular mass chemrof:molecular_mass | 173.009 |
| Monoisotopic mass chemrof:monoisotopic_mass | 171.952377, 171.95238 |
| SMILES string chemrof:smiles_string | Oc1ccccc1Br |
Known URLs
19Where 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=32762-51-9 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=95-56-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34264 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.212 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.046.531 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8052641 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04586 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6970 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL186007 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A0UB206YF0 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032059 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.565C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14841 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14841 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45241 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:2BR | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL186007 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7244 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q26421079 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2677afb3-bc66-45f3-9e53-659d4d0a98df | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| bdcba8f9-05d4-4a34-b5b3-b0ff78733c0f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6aab8f5c-55e3-445a-b783-7b977538a1ad | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| c1de5afb-6c24-4227-83b5-cb9bc901a781 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7b1fa2b3-100b-4ce3-8b75-93360864dcd3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9ecb3536-e28b-4bbc-b3ce-33339454b3c8 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5b98b8ec-5d13-4a96-8eb5-90b3b5c6174b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c6b7298d-2f9f-4a00-ba67-b04a1c3d30ed | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b6275dcb-fa36-4215-bf11-578525ca65dd | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1b2bd0e4-4d31-4f2f-9814-5417e87cc537 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6b608c08-5cad-4ad0-a0d7-d708d9809713 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d178ba3c-4380-4717-94f7-7edfc0b4d7a3 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f72c1442-5355-4930-9cbf-92de62a7fbc3 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"reason": "",
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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