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2,3,3',4,4'-pentachlorodiphenylether

Flow Object IDfo-3a720350430b1131
TypeConsensus
prefLabel
Label Language
2,3,3',4,4'-pentachlorodiphenylether en
CAS Numbers85918-31-6
Changes Applied13

Properties

Predicate Value
InChIKey DIRKPDDVEMEJPR-NOXHQTKFSA-N, PKEGIXYNAGGYPN-UHFFFAOYSA-N
InChI InChI=1S/C12H5Cl5O/c13-7-2-1-6(5-9(7)15)18-10-4-3-8(14)11(16)12(10)17/h1-5H, InChI=1S/C19H28O2/c1-11-14-5-6-17-15(16(14)10-18(11)21)4-3-12-9-13(20)7-8-19(12,17)2/h12-13,15-17,20H,3-10H2,1-2H3/t12-,13-,15+,16-,17+,19+/m1/s1
IUPAC name (3R,5R,8R,9S,10S,14S)-10,17-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one, (3R,5R,8R,9S,10S,14S)-3-hydroxy-10,17-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one, 1,2,3-trichloro-4-(3,4-dichlorophenoxy)benzene, 1-[3,4-bis(chloranyl)phenoxy]-2,3,4-tris(chloranyl)benzene
Molecular formula C12H5Cl5O, C19H28O2
SMILES C1=CC(=C(C=C1OC2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl, CC1=C2CCC3C(C2CC1=O)CCC4C3(CCC(C4)O)C, CC1=C2CC[C@H]3[C@H]([C@@H]2CC1=O)CC[C@H]4[C@@]3(CC[C@H](C4)O)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
de8e5e4f… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 1
d3d8e066… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
12ebff5f… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 1
01ba2418… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 1
526ce745… EF 3.1 kg Environmental → Air → Unknown 2 1
ea6455c7… EF 3.1 kg Environmental → Air → Unknown 2 1
ae8602fe… EF 3.1 kg Environmental → Ground → Agricultural 2 1
1195e6cb… EF 3.1 kg Environmental → Ground → Unknown 2 1
4caf87f3… EF 3.1 kg Environmental → Water → Ocean 2 1
6e6a1552… EF 3.1 kg Environmental → Water → Surface water 2 1
b43880f8… EF 3.1 kg Environmental → Water → Unknown 2 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
01ba2418… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
1195e6cb… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
12ebff5f… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
4caf87f3… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
526ce745… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
6e6a1552… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
832645ee… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
ae8602fe… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
b43880f8… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
c0dfdbfd… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
d3d8e066… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
de8e5e4f… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}
ea6455c7… cas_match_labels — {"85918-31-6":"exactMatch"} group_key=2,3,3',4,4'-pentachlorodiphenylether||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'85918-31-6': []}; assigned CAS labels from group consensus; object_uuid=fo-3a720350430b1131: {'85918-31-6': 'exactMatch'}

Flow Object JSON

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      "@value": "2,3,3',4,4'-pentachlorodiphenylether",
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        "C19H28O2"
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        "C1=CC(=C(C=C1OC2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl",
        "CC1=C2CCC3C(C2CC1=O)CCC4C3(CCC(C4)O)C",
        "CC1=C2CC[C@H]3[C@H]([C@@H]2CC1=O)CC[C@H]4[C@@]3(CC[C@H](C4)O)C"
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        "InChI=1S/C19H28O2/c1-11-14-5-6-17-15(16(14)10-18(11)21)4-3-12-9-13(20)7-8-19(12,17)2/h12-13,15-17,20H,3-10H2,1-2H3/t12-,13-,15+,16-,17+,19+/m1/s1"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
        "(3R,5R,8R,9S,10S,14S)-10,17-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one",
        "(3R,5R,8R,9S,10S,14S)-3-hydroxy-10,17-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one",
        "1,2,3-trichloro-4-(3,4-dichlorophenoxy)benzene",
        "1-[3,4-bis(chloranyl)phenoxy]-2,3,4-tris(chloranyl)benzene"
      ],
      "rdfs:label": "IUPAC name",
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