4-chlorobiphenyl
fo-4482c63d8804e43b
Identity
- Type
- Neutral molecule
- CAS
- 2051-62-9
- EC
- 218-127-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
14- 1,1′-Biphenyl, 4-chloro-
- 1,1′-Biphenyl-4-yl chloride
- 1-Chloro-4-phenyl benzene
- 1-Chloro-4-phenylbenzene
- 4-Biphenylyl chloride
- 4-Chlorbiphenyl
- 4-chloro-1,1'-biphenyl
- 4-Chloro-1,1′-biphenyl
- 4-chlorodiphenyl
- 4-Monochloro-biphenyl
- Biphenyl, 4-chloro-
- p-chlorobiphenyl
- p-chlorodiphenyl
- PCB 3
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FPWNLURCHDRMHC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| IUPAC name chemrof:IUPAC_name | 4-chlorobiphenyl |
| Molecular formula chemrof:molecular_formula | C12H9Cl |
| Molecular mass chemrof:molecular_mass | 188.657 |
| Monoisotopic mass chemrof:monoisotopic_mass | 188.039278, 188.03928 |
| SMILES string chemrof:smiles_string | Clc1ccc(-c2ccccc2)cc1 |
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=2051-62-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27757 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.016.480 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3040300 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37066 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL276334 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:131583 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QA22Z3NGLU | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246395 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.611K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06584 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06584 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51445 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16323 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3432 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23137097 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23250224 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24007621 | enrich_references.chebi_xrefs |
| reaxys | reaxys:774966 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0177 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27103306 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5bb6e497-1217-4796-a472-6d70a7f10671 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6d23058d-bf16-4027-b8e2-2e45fb69e1ca | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6a78085a-be8e-45cf-b4cc-43a7406a6235 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| d08793b3-d8bc-4e9f-8e4b-a3dabe443c9f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5b38b46a-ecdb-4716-8821-1dd41ad8ba18 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 02170720-9f33-4d68-99be-6e2de800c84e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 12c2b153-ce50-4fa7-8667-fd227744dabf | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 807307ce-adc2-4fdd-8fe0-ef77b8589ff2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a9215f2b-3303-4908-a929-60c55ecb578f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 11e110c7-b53f-44b9-8aae-6c9589439acd | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7abee765-d865-43ac-be77-e056ba29bca0 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| a6b331c0-6461-4a78-96ff-2bb88c4785f8 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 678d2c86-c711-4d8f-b827-4869d5e0503e | 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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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