1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol
fo-8919c5563c80352a
Identity
- Type
- Neutral molecule
- CAS
- 24155-42-8
- EC
- 246-042-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
7- (±)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
- 1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol
- 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
- 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol
- 1H-Imidazole-1-ethanol, α-(2,4-dichlorophenyl)-
- Imidazole-1-ethanol, α-(2,4-dichlorophenyl)-
- α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | UKVLTPAGJIYSGN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2 |
| IUPAC name chemrof:IUPAC_name | 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol |
| Molecular formula chemrof:molecular_formula | C11H10Cl2N2O |
| Molecular mass chemrof:molecular_mass | 257.12 |
| Monoisotopic mass chemrof:monoisotopic_mass | 256.017018 |
| SMILES string chemrof:smiles_string | OC(Cn1ccnc1)c1ccc(Cl)cc1Cl |
Known URLs
8Where 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=24155-42-8 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.041.842 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3074737 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1327 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CP4AM80T68 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J86.829I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/32238 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27275605 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a2da2c8c-dc0b-4a14-9632-79489a1548a8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| bb4833ca-3845-471b-9fe2-b0f47a53fca1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 1b48d413-910e-482b-a118-3e983e199daa | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 68ade304-c417-48ca-b34b-1127bddcb60f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d09630d8-b4bd-416d-bc83-2f16cd5bfe2d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| db978219-de9d-4f4a-8bbb-93bb2266ed22 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 81483234-d921-4856-8a17-920a898bb07b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1817d911-c34e-4fd0-9e1d-b591563b504e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 464e0993-b39e-4383-bc64-64913c5b0601 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6a49ca58-bf88-460a-9d56-0acd37581eef | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1b4f2cfd-37c1-4d29-9432-0b3059880d97 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 88ff6782-7c2c-409b-8369-be0f2519919e | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| a931b9dc-7096-4867-b07e-2ba0d7ecbb5c | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-8919c5563c80352a",
"prefLabel": [
{
"@value": "1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol",
"@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": "(±)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24155-42-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24155-42-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24155-42-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24155-42-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1H-Imidazole-1-ethanol, α-(2,4-dichlorophenyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24155-42-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Imidazole-1-ethanol, α-(2,4-dichlorophenyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24155-42-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24155-42-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C11H10Cl2N2O"
],
"attested_by": {
"C11H10Cl2N2O": [
"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:32238"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OC(Cn1ccnc1)c1ccc(Cl)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"UKVLTPAGJIYSGN-UHFFFAOYSA-N"
],
"attested_by": {
"UKVLTPAGJIYSGN-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:32238"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OC(Cn1ccnc1)c1ccc(Cl)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"OC(Cn1ccnc1)c1ccc(Cl)cc1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OC(Cn1ccnc1)c1ccc(Cl)cc1Cl"
]
}
],
"attested_by": {
"OC(Cn1ccnc1)c1ccc(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/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OC(Cn1ccnc1)c1ccc(Cl)cc1Cl"
]
}
],
"attested_by": {
"InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol"
]
},
"attested_by": {
"1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
257.12
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OC(Cn1ccnc1)c1ccc(Cl)cc1Cl"
]
}
],
"attested_by": {
"257.12": [
"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": [
256.017018
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"OC(Cn1ccnc1)c1ccc(Cl)cc1Cl"
]
}
],
"attested_by": {
"256.017018": [
"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=J86.829I",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32238;CAS:24155-42-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24155-42-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.041.842",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32238;CAS:24155-42-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24155-42-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=24155-42-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32238;CAS:24155-42-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24155-42-8]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3074737",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32238;CAS:24155-42-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24155-42-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CP4AM80T68",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32238;CAS:24155-42-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24155-42-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/32238",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32238;CAS:24155-42-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[24155-42-8]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1327",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32238;CAS:24155-42-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24155-42-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27275605",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32238;CAS:24155-42-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24155-42-8]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1817d911-c34e-4fd0-9e1d-b591563b504e",
"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": [
"24155-42-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=24155-42-8"
}
],
"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": [
"246-042-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=246-042-5"
],
"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