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3,4,5-trichlorocatechol
| Flow Object ID | fo-e9c4d6970113b395 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 56961-20-7 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
FUTDYIMYZIMPBJ-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C6H3Cl3O2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H
|
| IUPAC name |
3,4,5-trichlorobenzene-1,2-diol, 3,4,5-trichloropyrocatechol, 3,4,5-tris(chloranyl)benzene-1,2-diol
|
| Molecular formula |
C6H3Cl3O2
|
| SMILES |
C1=C(C(=C(C(=C1Cl)Cl)Cl)O)O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J570.391C
- https://chem.echa.europa.eu/100.405.481
- https://commonchemistry.cas.org/detail?cas_rn=56961-20-7
- https://comptox.epa.gov/dashboard/DTXSID9074060
- https://pubchem.ncbi.nlm.nih.gov/compound/32816
- https://www.wikidata.org/wiki/Q82002587
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
f3151975… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
62b9b714… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
89945d2e… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
b3a21450… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
5961ba50… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
f5c5ba0f… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
37ac35cb… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
33816390… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
c739371b… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
ecd3f75a… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
cb6a2c0c… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
33816390… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
37ac35cb… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
5961ba50… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
62b9b714… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
6650432a… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
89945d2e… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
a76274b1… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
b3a21450… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
c739371b… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
cb6a2c0c… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
ecd3f75a… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
f3151975… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
f5c5ba0f… |
cas_match_labels |
— |
{"56961-20-7":"exactMatch"} |
group_key=3,4,5-trichlorocatechol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'56961-20-7': []}; assigned CAS labels from group consensus; object_uuid=fo-e9c4d6970113b395: {'56961-20-7': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-e9c4d6970113b395",
"prefLabel": [
{
"@value": "3,4,5-trichlorocatechol",
"@language": "en",
"@lang": "en",
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"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H3Cl3O2"
],
"rdfs:label": "Molecular formula",
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FUTDYIMYZIMPBJ-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=C(C(=C(C(=C1Cl)Cl)Cl)O)O"
],
"rdfs:label": "SMILES",
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"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C6H3Cl3O2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H"
],
"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": [
"3,4,5-trichlorobenzene-1,2-diol",
"3,4,5-trichloropyrocatechol",
"3,4,5-tris(chloranyl)benzene-1,2-diol"
],
"rdfs:label": "IUPAC name",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
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},
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},
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{
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{
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],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "33816390-2372-440e-b8cc-344ef0db6efb",
"seed_source": "EF 3.1"
},
"classifications": {
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"@value": [
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],
"rdfs:seeAlso": [
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],
"skos:exactMatch": [
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},
"origin_qualifier": null,
"parent_flow_object_id": null
}