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Hexachlorobiphenyl
| Flow Object ID | fo-4cbdbcf68ecea686 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 26601-64-9 | ||||
| Changes Applied | 12 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
MCWPVCQPLHZAAD-UHFFFAOYSA-N, RUEIBQJFGMERJD-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C12H4Cl6/c13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H, InChI=1S/C9H8N2O3/c1-4-3-5-6(9(10-4)14-2)8(13)11-7(5)12/h3H,1-2H3,(H,11,12,13)
|
| IUPAC name |
1,2,3,4,5-pentachloro-6-(2-chlorophenyl)benzene, 1,2,3,4,5-pentakis(chloranyl)-6-(2-chlorophenyl)benzene, 4-methoxy-6-methyl-pyrrolo[3,4-c]pyridine-1,3-dione, 4-methoxy-6-methyl-pyrrolo[3,4-c]pyridine-1,3-quinone, 4-methoxy-6-methylpyrrolo[3,4-c]pyridine-1,3-dione
|
| Molecular formula |
C12H4Cl6, C9H8N2O3
|
| SMILES |
C1=CC=C(C(=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl, CC1=CC2=C(C(=O)NC2=O)C(=N1)OC
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J151.549G
- https://chem.echa.europa.eu/100.217.297
- https://commonchemistry.cas.org/detail?cas_rn=26601-64-9
- https://comptox.epa.gov/dashboard/DTXSID20300716
- https://comptox.epa.gov/dashboard/DTXSID9074149
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=138450
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QKA43915PV
- https://hmdb.ca/metabolites/HMDB0246652
- https://pubchem.ncbi.nlm.nih.gov/compound/283582
- https://pubchem.ncbi.nlm.nih.gov/compound/91635
- https://www.wikidata.org/wiki/Q27287304
- https://www.wikidata.org/wiki/Q82044004
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3e4cdb6f… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Unknown | 0 | 1 |
3e4cdb6d… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 1 |
3e4cdb70… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 1 |
3e4cdb71… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 1 |
3e4cdb6e… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 1 |
3e4cdb73… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
08a91e70… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
3e4cdb6d… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
3e4cdb6e… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
3e4cdb6f… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
3e4cdb70… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
3e4cdb71… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
3e4cdb72… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
3e4cdb73… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
3e4cdb74… |
cas_match_labels |
— |
{"26601-64-9":"exactMatch"} |
group_key=hexachlorobiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'26601-64-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbdbcf68ecea686: {'26601-64-9': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-4cbdbcf68ecea686",
"prefLabel": [
{
"@value": "Hexachlorobiphenyl",
"@language": "en",
"@lang": "en",
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],
"altLabel": [],
"properties": {
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"C12H4Cl6",
"C9H8N2O3"
],
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"https://w3id.org/chemrof/smiles_string": {
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"C1=CC=C(C(=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl",
"CC1=CC2=C(C(=O)NC2=O)C(=N1)OC"
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"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
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"InChI=1S/C12H4Cl6/c13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H",
"InChI=1S/C9H8N2O3/c1-4-3-5-6(9(10-4)14-2)8(13)11-7(5)12/h3H,1-2H3,(H,11,12,13)"
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
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"1,2,3,4,5-pentakis(chloranyl)-6-(2-chlorophenyl)benzene",
"4-methoxy-6-methyl-pyrrolo[3,4-c]pyridine-1,3-dione",
"4-methoxy-6-methyl-pyrrolo[3,4-c]pyridine-1,3-quinone",
"4-methoxy-6-methylpyrrolo[3,4-c]pyridine-1,3-dione"
],
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