(2,4-dichlorophenyl)acetic Acid
fo-e7fd12437694e468
Identity
- Type
- Neutral molecule
- CAS
- 19719-28-9
- EC
- 243-248-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
5- 2,4-Dichlorobenzeneacetic acid
- 2,4-Dichlorophenylacetic acid
- 2-(2,4-Dichlorophenyl)acetic acid
- Acetic acid, (2,4-dichlorophenyl)-
- Benzeneacetic acid, 2,4-dichloro-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GXMWLJKTGBZMBH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) |
| IUPAC name chemrof:IUPAC_name | (2,4-dichlorophenyl)acetic Acid |
| Molecular formula chemrof:molecular_formula | C8H6Cl2O2 |
| Molecular mass chemrof:molecular_mass | 205.04 |
| Monoisotopic mass chemrof:monoisotopic_mass | 203.974485 |
| SMILES string chemrof:smiles_string | O=C(O)Cc1ccc(Cl)cc1Cl |
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=19719-28-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.039.302 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4041363 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=54853 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185822 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/15N730ND47 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.084F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/88209 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27251731 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4ebd5b35-cd52-4b77-8af7-218615968bdd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 3fd6d146-16b0-4d7a-bb84-e4d6b51c4940 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 80272504-a863-4366-8af4-e7daaf5f1965 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| ebe4e3b3-c1f2-4321-ab2a-db274a88a937 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5d278af0-a7ca-4c4e-8baf-6bee4915f07c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| eb2ef61a-7c1d-41b1-b107-cc99303faa62 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 77618c66-e7eb-4125-b681-c58d96d020ea | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c98d470d-c4c8-4b78-af03-ee66d86a038d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 246c9e73-2ab7-4c14-bb37-938aff2467d3 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1af29b5a-5266-478d-8b5b-a895ff003329 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e0bb47fa-5e10-41b1-9618-4858991d9a68 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 80d77651-1c01-45cb-874f-8386bf87dbdc | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8179daa4-9789-43bf-8c96-cc9cd082880d | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-e7fd12437694e468",
"prefLabel": [
{
"@value": "(2,4-dichlorophenyl)acetic Acid",
"@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": "2,4-Dichlorobenzeneacetic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19719-28-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19719-28-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,4-Dichlorophenylacetic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19719-28-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19719-28-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2,4-Dichlorophenyl)acetic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19719-28-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19719-28-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetic acid, (2,4-dichlorophenyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19719-28-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19719-28-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzeneacetic acid, 2,4-dichloro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19719-28-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19719-28-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H6Cl2O2"
],
"attested_by": {
"C8H6Cl2O2": [
"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:88209"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)Cc1ccc(Cl)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GXMWLJKTGBZMBH-UHFFFAOYSA-N"
],
"attested_by": {
"GXMWLJKTGBZMBH-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:88209"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)Cc1ccc(Cl)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C(O)Cc1ccc(Cl)cc1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(2,4-dichlorophenyl)acetic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)Cc1ccc(Cl)cc1Cl"
]
}
],
"attested_by": {
"O=C(O)Cc1ccc(Cl)cc1Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(2,4-dichlorophenyl)acetic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)Cc1ccc(Cl)cc1Cl"
]
}
],
"attested_by": {
"InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"(2,4-dichlorophenyl)acetic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(2,4-dichlorophenyl)acetic Acid"
]
},
"attested_by": {
"(2,4-dichlorophenyl)acetic Acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
205.04
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C=C1Cl)Cl)CC(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)Cc1ccc(Cl)cc1Cl"
]
}
],
"attested_by": {
"205.04": [
"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": [
203.974485
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C=C1Cl)Cl)CC(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(O)Cc1ccc(Cl)cc1Cl"
]
}
],
"attested_by": {
"203.974485": [
"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=J43.084F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88209;CAS:19719-28-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19719-28-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.039.302",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88209;CAS:19719-28-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19719-28-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=19719-28-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"19719-28-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4041363",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88209;CAS:19719-28-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19719-28-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=54853",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88209;CAS:19719-28-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19719-28-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/15N730ND47",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88209;CAS:19719-28-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19719-28-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/88209",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88209;CAS:19719-28-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[19719-28-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185822",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88209;CAS:19719-28-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19719-28-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27251731",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88209;CAS:19719-28-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19719-28-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1af29b5a-5266-478d-8b5b-a895ff003329",
"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": [
"19719-28-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=19719-28-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=19719-28-9"
}
],
"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": [
"243-248-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=243-248-7"
],
"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