2,3,5,6-tetrachloropyridine
fo-b960c4c21aab409c
Identity
- Type
- Neutral molecule
- CAS
- 2402-79-1
- EC
- 219-283-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
1- Pyridine, 2,3,5,6-tetrachloro-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FATBKZJZAHWCSL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H |
| IUPAC name chemrof:IUPAC_name | 2,3,5,6-tetrachloropyridine |
| Molecular formula chemrof:molecular_formula | C5HCl4N |
| Molecular mass chemrof:molecular_mass | 216.882 |
| Monoisotopic mass chemrof:monoisotopic_mass | 214.88631 |
| SMILES string chemrof:smiles_string | Clc1cc(Cl)c(Cl)nc1Cl |
Known URLs
9Where 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=2402-79-1 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.017.532 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7027467 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2009 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187097 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WJR8HAY65E | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.653D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16990 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27292675 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7602e67d-77fe-4341-bb19-21a674a6bae6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b6ee16be-8bc2-4a29-b0f3-a90f0613a4ca | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| dbcf2f23-c564-422f-acad-a7aa33d4cfa4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 75a05d8c-747d-4bd2-9094-f05af7cab813 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ca909b4e-7de9-4e8b-9e09-0742b83e2049 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| c66f5d2f-7f3f-4c46-a721-94f3c162e1ef | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a6c5f9a0-f8c8-4a65-910b-5a6f288c0e11 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 134451a8-c12a-46c1-acfc-1eed3ade7c7b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3d3d4793-7022-414d-a476-1d6f45501203 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3fba6654-319b-4ce2-b778-9aed4d2bf908 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e40139c1-98eb-472d-9507-6135195b4dda | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a4cf2ef2-6cba-46c0-bf75-69f23692a57a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3d6f6a73-4885-4f7c-b570-16c0e9ec3e36 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-b960c4c21aab409c",
"prefLabel": [
{
"@value": "2,3,5,6-tetrachloropyridine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Pyridine, 2,3,5,6-tetrachloro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2402-79-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2402-79-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C5HCl4N"
],
"attested_by": {
"C5HCl4N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(Cl)nc1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FATBKZJZAHWCSL-UHFFFAOYSA-N"
],
"attested_by": {
"FATBKZJZAHWCSL-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(Cl)nc1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Clc1cc(Cl)c(Cl)nc1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,5,6-tetrachloropyridine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(Cl)nc1Cl"
]
}
],
"attested_by": {
"Clc1cc(Cl)c(Cl)nc1Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,5,6-tetrachloropyridine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(Cl)nc1Cl"
]
}
],
"attested_by": {
"InChI=1S/C5HCl4N/c6-2-1-3(7)5(9)10-4(2)8/h1H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,3,5,6-tetrachloropyridine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,5,6-tetrachloropyridine"
]
},
"attested_by": {
"2,3,5,6-tetrachloropyridine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
216.882
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=NC(=C1Cl)Cl)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(Cl)nc1Cl"
]
}
],
"attested_by": {
"216.882": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
214.88631
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=NC(=C1Cl)Cl)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(Cl)nc1Cl"
]
}
],
"attested_by": {
"214.88631": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.653D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2402-79-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.017.532",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2402-79-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2402-79-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2402-79-1]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7027467",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2402-79-1]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2009",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2402-79-1]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WJR8HAY65E",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2402-79-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16990",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2402-79-1]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187097",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2402-79-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27292675",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16990;CAS:2402-79-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2402-79-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "134451a8-c12a-46c1-acfc-1eed3ade7c7b",
"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": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2402-79-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2402-79-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2402-79-1"
}
],
"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": [
"219-283-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=219-283-9"
],
"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