← Back to consensus flow objects
2,3,5-trichlorophenol
| Flow Object ID | fo-2157d1ac1de610ac | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 933-78-8 | ||||||
| EC Numbers | 213-272-2 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
VRNADRCOROWLJC-UHFFFAOYSA-N, WWGQHTJIFOQAOC-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H, InChI=1S/C8H5ClO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
|
| IUPAC name |
2,3,5-trichlorophenol, 2,3,5-tris(chloranyl)phenol, 6-chloranyl-1,3-benzodioxole-5-carbaldehyde, 6-chloro-1,3-benzodioxole-5-carbaldehyde, 6-chloro-1,3-benzodioxole-5-carboxaldehyde, 6-chloropiperonal
|
| Molecular formula |
C6H3Cl3O, C8H5ClO3
|
| SMILES |
C1=C(C=C(C(=C1O)Cl)Cl)Cl, C1OC2=C(O1)C=C(C(=C2)C=O)Cl
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.750G
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J266.803C
- https://chem.echa.europa.eu/100.012.066
- https://chem.echa.europa.eu/100.206.612
- https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0589
- https://commonchemistry.cas.org/detail?cas_rn=933-78-8
- https://comptox.epa.gov/dashboard/DTXSID0026208
- https://comptox.epa.gov/dashboard/DTXSID40166674
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=166400
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6T7DUC2C8B
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FLN3X72UKA
- https://pubchem.ncbi.nlm.nih.gov/compound/13619
- https://pubchem.ncbi.nlm.nih.gov/compound/140014
- https://pubchem.ncbi.nlm.nih.gov/erg/#2020
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1569358
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143645
- https://www.wikidata.org/wiki/Q2682869
- https://www.wikidata.org/wiki/Q83035882
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
14a4d52b… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
1f804cf2… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
2196e8e6… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
6dda66fe… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
78ecfea9… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
7ef9aaf5… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
788e098e… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
a0f86f2e… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
95538343… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
a4ffd507… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
fb80e299… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
14a4d52b… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
14a4d52b… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
1f804cf2… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
1f804cf2… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
2196e8e6… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
2196e8e6… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
6dda66fe… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
6dda66fe… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
788e098e… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
788e098e… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
78ecfea9… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
78ecfea9… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
7ef9aaf5… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
7ef9aaf5… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
95538343… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
95538343… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
a0f86f2e… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
a0f86f2e… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
a4ffd507… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
a4ffd507… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
bca6a697… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
bca6a697… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
dd6d8446… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
dd6d8446… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
fb80e299… |
altLabel |
— |
[{"@value":"Phenol, 2,3,5-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:933-78-8","https://commonchemistry.cas.org/detail?cas_rn=933-78-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=933-78-8; added Common Chemistry CAS names as altLabel: Phenol, 2,3,5-trichloro-; object_uuid=fo-2157d1ac1de610ac |
fb80e299… |
cas_match_labels |
— |
{"933-78-8":"exactMatch"} |
group_key=2,3,5-trichlorophenol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'933-78-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2157d1ac1de610ac: {'933-78-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-2157d1ac1de610ac",
"prefLabel": [
{
"@value": "2,3,5-trichlorophenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "Phenol, 2,3,5-trichloro-",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H3Cl3O",
"C8H5ClO3"
],
"rdfs:label": "Molecular formula",
"provenance": {
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],
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"VRNADRCOROWLJC-UHFFFAOYSA-N",
"WWGQHTJIFOQAOC-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=C(C=C(C(=C1O)Cl)Cl)Cl",
"C1OC2=C(O1)C=C(C(=C2)C=O)Cl"
],
"rdfs:label": "SMILES",
"provenance": {
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"prov:wasDerivedFrom": "pubchem.props.SMILES"
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H",
"InChI=1S/C8H5ClO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2"
],
"rdfs:label": "InChI",
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"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2,3,5-trichlorophenol",
"2,3,5-tris(chloranyl)phenol",
"6-chloranyl-1,3-benzodioxole-5-carbaldehyde",
"6-chloro-1,3-benzodioxole-5-carbaldehyde",
"6-chloro-1,3-benzodioxole-5-carboxaldehyde",
"6-chloropiperonal"
],
"rdfs:label": "IUPAC name",
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}
},
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},
{
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{
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