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2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, N,n'-bis(4- Chloro-2,5-dimethoxyphenyl, 2,4-xylyl) Butanamide

UUID 1765dba6-7870-40b8-9926-c6e3304210b0
Flow Object IDfo-3701ee6b185a6b14
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 90268-24-9
EC Numbers 290-824-9
prefLabel
Language Value Provenance
en 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, N,n'-bis(4- Chloro-2,5-dimethoxyphenyl, 2,4-xylyl) Butanamide
altLabel ⓘ
Language Value Provenance
en Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-, <em>N</em>,<em>N</em>′-bis(4-chloro-2,5-dimethoxyphenyl and 2,4-xylyl) derivs.
en C.I. 21103
en C.I. Pigment Yellow 176
en Permanent Yellow GRV 80
en Permanent Yellow GRX 82
en Permanent Yellow GRX 86
en Pigment Yellow 176
References
Shared Properties
Predicate Value
InChIKey AKFQPPWEZQPEOU-AXPABZMGSA-N, CTCGHGAGCLXAHB-UHFFFAOYSA-N, PCIHXBATJNMDPS-UHFFFAOYSA-N
InChI InChI=1S/C36H33Cl3N6O6/c1-18-7-10-27(19(2)13-18)40-35(48)33(20(3)46)44-42-28-11-8-22(14-24(28)37)23-9-12-29(25(38)15-23)43-45-34(21(4)47)36(49)41-30-17-31(50-5)26(39)16-32(30)51-6/h7-17,33-34H,1-6H3,(H,40,48)(H,41,49), InChI=1S/C36H33Cl3N6O6/c1-18-7-10-27(19(2)13-18)40-35(48)33(20(3)46)44-42-28-11-8-22(14-24(28)37)23-9-12-29(25(38)15-23)43-45-34(21(4)47)36(49)41-30-17-31(50-5)26(39)16-32(30)51-6/h7-17,46-47H,1-6H3,(H,40,48)(H,41,49)/b33-20-,34-21+,44-42?,45-43?, InChI=1S/C37H34Cl3N5O6/c1-19-7-8-23(20(2)13-19)16-32(48)35(21(3)46)44-42-29-11-9-24(14-26(29)38)25-10-12-30(27(39)15-25)43-45-36(22(4)47)37(49)41-31-18-33(50-5)28(40)17-34(31)51-6/h7-15,17-18,35-36H,16H2,1-6H3,(H,41,49)
IUPAC name (Z)-2-[2-chloro-4-[3-chloro-4-[(E)-1-(4-chloro-2,5-dimethoxyanilino)-3-hydroxy-1-oxobut-2-en-2-yl]azophenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-hydroxy-2-butenamide, (Z)-2-[2-chloro-4-[3-chloro-4-[(E)-1-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-2-hydroxy-prop-1-enyl]azo-phenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-hydroxy-but-2-enamide, (Z)-2-[[2-chloranyl-4-[3-chloranyl-4-[[(E)-1-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-3-oxidanyl-1-oxidanylidene-but-2-en-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxidanyl-but-2-enamide, (Z)-2-[[2-chloro-4-[3-chloro-4-[[(E)-1-(4-chloro-2,5-dimethoxyanilino)-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide, 2-[2-chloro-4-[3-chloro-4-[1-(2,4-dimethylphenyl)-2,4-dioxopentan-3-yl]azophenyl]phenyl]azo-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide, 2-[2-chloro-4-[3-chloro-4-[1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]azophenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-oxobutanamide, 2-[2-chloro-4-[3-chloro-4-[1-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-2-keto-propyl]azo-phenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-keto-butyramide, 2-[2-chloro-4-[3-chloro-4-[1-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-2-oxo-propyl]azo-phenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-oxo-butanamide, 2-[4-[4-[1-acetyl-3-(2,4-dimethylphenyl)-2-keto-propyl]azo-3-chloro-phenyl]-2-chloro-phenyl]azo-N-(4-chloro-2,5-dimethoxy-phenyl)-3-keto-butyramide, 2-[4-[4-[1-acetyl-3-(2,4-dimethylphenyl)-2-oxo-propyl]azo-3-chloro-phenyl]-2-chloro-phenyl]azo-N-(4-chloro-2,5-dimethoxy-phenyl)-3-oxo-butanamide, 2-[[2-chloranyl-4-[3-chloranyl-4-[[1-(2,4-dimethylphenyl)-2,4-bis(oxidanylidene)pentan-3-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-oxidanylidene-butanamide, 2-[[2-chloranyl-4-[3-chloranyl-4-[[1-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxidanylidene-butanamide, 2-[[2-chloro-4-[3-chloro-4-[[1-(2,4-dimethylphenyl)-2,4-dioxopentan-3-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide, 2-[[2-chloro-4-[3-chloro-4-[[1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Molecular formula C36H33Cl3N6O6, C37H34Cl3N5O6
SMILES CC1=CC(=C(C=C1)CC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl)C, CC1=CC(=C(C=C1)NC(=O)/C(=C(\C)/O)/N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=N/C(=C(\C)/O)/C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl)C, CC1=CC(=C(C=C1)NC(=O)C(=C(C)O)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(=C(C)O)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl)C, CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1765dba6-7870-40b8-9926-c6e3304210b0 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, n,n'-bis(4- chloro-2,5-dimethoxyphenyl, 2,4-xylyl) butanamide

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, n,n'-bis(4- chloro-2,5-dimethoxyphenyl, 2,4-xylyl) butanamide Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-,n,n'-bis(4-chloro-2,5-dimethoxyphenyl,2,4-xylyl)butanamide||dimension=Environmental > media=Water > water_body=Surface water; cas=90268-24-9; added Common Chemistry CAS names as altLabel: Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-, <em>N</em>,<em>N</em>′-bis(4-chloro-2,5-dimethoxyphenyl and 2,4-xylyl) derivs., C.I. 21103, C.I. Pigment Yellow 176, Permanent Yellow GRV 80, Permanent Yellow GRX 82, Permanent Yellow GRX 86, Pigment Yellow 176; object_uuid=fo-3701ee6b185a6b14
cas_match_labels 1 — consensus_match group_key=2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-,n,n'-bis(4-chloro-2,5-dimethoxyphenyl,2,4-xylyl)butanamide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'90268-24-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3701ee6b185a6b14: {'90268-24-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-, <em>N</em>,<em>N</em>′-bis(4-chloro-2,5-dimethoxyphenyl and 2,4-xylyl) derivs.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90268-24-9', 'https://commonchemistry.cas.org/detail?cas_rn=90268-24-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. 21103', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90268-24-9', 'https://commonchemistry.cas.org/detail?cas_rn=90268-24-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. Pigment Yellow 176', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90268-24-9', 'https://commonchemistry.cas.org/detail?cas_rn=90268-24-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Permanent Yellow GRV 80', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90268-24-9', 'https://commonchemistry.cas.org/detail?cas_rn=90268-24-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Permanent Yellow GRX 82', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90268-24-9', 'https://commonchemistry.cas.org/detail?cas_rn=90268-24-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Permanent Yellow GRX 86', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90268-24-9', 'https://commonchemistry.cas.org/detail?cas_rn=90268-24-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pigment Yellow 176', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:90268-24-9', 'https://commonchemistry.cas.org/detail?cas_rn=90268-24-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-,n,n'-bis(4-chloro-2,5-dimethoxyphenyl,2,4-xylyl)butanamide||dimension=Environmental > media=Water > water_body=Surface water; cas=90268-24-9; added Common Chemistry CAS names as altLabel: Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[3-oxo-, <em>N</em>,<em>N</em>′-bis(4-chloro-2,5-dimethoxyphenyl and 2,4-xylyl) derivs., C.I. 21103, C.I. Pigment Yellow 176, Permanent Yellow GRV 80, Permanent Yellow GRX 82, Permanent Yellow GRX 86, Pigment Yellow 176; object_uuid=fo-3701ee6b185a6b14
cas_match_labels None {'90268-24-9': 'exactMatch'} group_key=2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-,n,n'-bis(4-chloro-2,5-dimethoxyphenyl,2,4-xylyl)butanamide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'90268-24-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3701ee6b185a6b14: {'90268-24-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  },
  "general_comment": null,
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  "unit": "kg",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 7.9123
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    {
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      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.1592e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.1592e-7
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 7.9123
    }
  ],
  "source": "EF 3.1",
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      "source_metadata": {
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        "InChI=1S/C36H33Cl3N6O6/c1-18-7-10-27(19(2)13-18)40-35(48)33(20(3)46)44-42-28-11-8-22(14-24(28)37)23-9-12-29(25(38)15-23)43-45-34(21(4)47)36(49)41-30-17-31(50-5)26(39)16-32(30)51-6/h7-17,46-47H,1-6H3,(H,40,48)(H,41,49)/b33-20-,34-21+,44-42?,45-43?",
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      "@value": [
        "(Z)-2-[2-chloro-4-[3-chloro-4-[(E)-1-(4-chloro-2,5-dimethoxyanilino)-3-hydroxy-1-oxobut-2-en-2-yl]azophenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-hydroxy-2-butenamide",
        "(Z)-2-[2-chloro-4-[3-chloro-4-[(E)-1-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-2-hydroxy-prop-1-enyl]azo-phenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-hydroxy-but-2-enamide",
        "(Z)-2-[[2-chloranyl-4-[3-chloranyl-4-[[(E)-1-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-3-oxidanyl-1-oxidanylidene-but-2-en-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxidanyl-but-2-enamide",
        "(Z)-2-[[2-chloro-4-[3-chloro-4-[[(E)-1-(4-chloro-2,5-dimethoxyanilino)-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide",
        "2-[2-chloro-4-[3-chloro-4-[1-(2,4-dimethylphenyl)-2,4-dioxopentan-3-yl]azophenyl]phenyl]azo-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide",
        "2-[2-chloro-4-[3-chloro-4-[1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]azophenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-oxobutanamide",
        "2-[2-chloro-4-[3-chloro-4-[1-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-2-keto-propyl]azo-phenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-keto-butyramide",
        "2-[2-chloro-4-[3-chloro-4-[1-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-2-oxo-propyl]azo-phenyl]phenyl]azo-N-(2,4-dimethylphenyl)-3-oxo-butanamide",
        "2-[4-[4-[1-acetyl-3-(2,4-dimethylphenyl)-2-keto-propyl]azo-3-chloro-phenyl]-2-chloro-phenyl]azo-N-(4-chloro-2,5-dimethoxy-phenyl)-3-keto-butyramide",
        "2-[4-[4-[1-acetyl-3-(2,4-dimethylphenyl)-2-oxo-propyl]azo-3-chloro-phenyl]-2-chloro-phenyl]azo-N-(4-chloro-2,5-dimethoxy-phenyl)-3-oxo-butanamide",
        "2-[[2-chloranyl-4-[3-chloranyl-4-[[1-(2,4-dimethylphenyl)-2,4-bis(oxidanylidene)pentan-3-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-oxidanylidene-butanamide",
        "2-[[2-chloranyl-4-[3-chloranyl-4-[[1-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxidanylidene-butanamide",
        "2-[[2-chloro-4-[3-chloro-4-[[1-(2,4-dimethylphenyl)-2,4-dioxopentan-3-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide",
        "2-[[2-chloro-4-[3-chloro-4-[[1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide"
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