3,5-dichloroaniline
fo-101bbdd7a8ad8620
Identity
- Type
- Neutral molecule
- CAS
- 626-43-7
- EC
- 210-948-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- 3,5-DCA
- 3,5-Dichloranilin
- 3,5-dichlorobenzenamine
- 3,5-Dichlorolaniline
- 3,5-Dichlorophenylamine
- Aniline, 3,5-dichloro-
- Benzenamine, 3,5-dichloro-
- m-dichloroaniline
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UQRLKWGPEVNVHT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2 |
| IUPAC name chemrof:IUPAC_name | 3,5-dichloroaniline |
| Molecular formula chemrof:molecular_formula | C6H5Cl2N |
| Molecular mass chemrof:molecular_mass | 162.019 |
| Monoisotopic mass chemrof:monoisotopic_mass | 160.9799, 160.979905 |
| SMILES string chemrof:smiles_string | Nc1cc(Cl)cc(Cl)c1 |
Known URLs
15Where 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:636492 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=626-43-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:19904 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.954 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7030307 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1451208 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:363409 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OZ75ZM1S3G | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246050 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.173G | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53727 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12281 | enrich_references.pubchem_compound |
| umbbd.compound | umbbd.compound:c0636 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q23034827 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/3,5-Dichloroaniline | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bf695648-d235-47b8-99a2-66d3fdb2e359 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 2bbb99bf-1501-4f4d-aa69-c913feb9e522 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 7b20298d-814d-43dd-af55-7e9578fd20d7 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| e1396db1-c755-4b33-ae50-c4e0df3a992a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a2a7b183-cfe3-4429-a490-f37610ca4fa7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| f6300b52-fb14-491e-aa13-d082c256822d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f737a3f0-a312-4a7c-90f3-cf19f26290a0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1050592f-c93e-4b53-83d4-3541e797c2b9 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 9f69258c-146a-4f5f-9e43-485786f9eae5 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| fed5aa26-e218-4a52-9d8f-8ac68af00f8a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 166237c3-ece7-4143-864c-41564bd48fa2 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| dd02ecac-4067-4973-838c-f9fc2b7a6bec | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f260296b-e516-4552-a2d3-820c93342a06 | 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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"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"626-43-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=626-43-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=626-43-7"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"210-948-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=210-948-9"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"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