3-chlorobiphenyl
fo-f650b57f99812c0b
Identity
- Type
- Neutral molecule
- CAS
- 2051-61-8
- EC
- 218-126-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
11- 1,1′-Biphenyl, 3-chloro-
- 1-Chloro-3-phenylbenzene
- 3-Chlorbiphenyl
- 3-chloro-1,1'-biphenyl
- 3-Chloro-1,1′-biphenyl
- 3-chlorodiphenyl
- 3-monochloro-1,1'-biphenyl
- 3-monochlorobiphenyl
- Biphenyl, 3-chloro-
- m-chlorobiphenyl
- PCB 2
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NMWSKOLWZZWHPL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| IUPAC name chemrof:IUPAC_name | 3-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 | Clc1cccc(-c2ccccc2)c1 |
Known URLs
13Where 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:1863135 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2051-61-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36716 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.016.479 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.151.974 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1040299 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WLQ4633SJY | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245840 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.418G | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55469 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16322 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2315 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27891531 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| dfa2b014-8212-402b-9bad-23c247be9858 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b14219b4-63fc-4df1-bd5e-043488416a53 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 32aed549-0199-42f5-8709-863f4350dc89 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| a552c753-56b8-470b-adb9-ee6bfedd94f9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 41b83596-5c0b-4393-92dd-89cb39537656 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 76ada248-3c3b-42c2-b73b-4e205154605e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| e5a425d6-f758-454a-90bc-9df673951cd1 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 2e75bdb6-fc35-446d-ac03-5f907f003f32 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 24ba415b-05b2-4046-a4b9-649e80778516 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 01c0018a-3b60-4dca-bbb3-8290e84ca371 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e7cc2548-5169-4306-8c2e-f0079bb8ff62 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b3358ae6-eddd-41cc-956b-14119c4f0e5c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| dbe6b4eb-c514-4ded-86cb-e18f1eafabf3 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"resolver": "hybrid_name_cas_v1",
"seed_uuid": "01c0018a-3b60-4dca-bbb3-8290e84ca371",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2051-61-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2051-61-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2051-61-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"218-126-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=218-126-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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