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Hexasodium 2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl] Amino]-2 Sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-

UUID 1a8e0d8b-cd44-4a68-b20a-c399e75ad33e
Flow Object IDfo-e5ec905114d5e389
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 93912-64-2
EC Numbers 401-310-2
prefLabel
Language Value Provenance
en Hexasodium 2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl] Amino]-2 Sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-
altLabel ⓘ
Language Value Provenance
en 1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6)
en 1,5-Naphthalenedisulfonic acid, 2-[[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, hexasodium salt
en Navy Blue CBF
References
Shared Properties
Predicate Value
InChIKey CRBABZUVIKGIMW-UHFFFAOYSA-H, CRBABZUVIKGIMW-UHFFFAOYSA-N
InChI InChI=1S/C37H29ClN10O22S7.6Na/c38-35-42-36(40-18-3-1-4-20(15-18)71(50,51)12-11-70-77(67,68)69)44-37(43-35)41-19-7-10-26(73(55,56)57)24(16-19)46-47-31-27(74(58,59)60)13-17-14-28(75(61,62)63)32(33(49)29(17)30(31)39)48-45-23-9-8-21-22(34(23)76(64,65)66)5-2-6-25(21)72(52,53)54;;;;;;/h1-10,13-16,49H,11-12,39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,40,41,42,43,44);;;;;;/q;6*+1, InChI=1S/C37H29ClN10O22S7.6Na/c38-35-42-36(40-18-3-1-4-20(15-18)71(50,51)12-11-70-77(67,68)69)44-37(43-35)41-19-7-10-26(73(55,56)57)24(16-19)46-47-31-27(74(58,59)60)13-17-14-28(75(61,62)63)32(33(49)29(17)30(31)39)48-45-23-9-8-21-22(34(23)76(64,65)66)5-2-6-25(21)72(52,53)54;;;;;;/h1-10,13-16,49H,11-12,39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,40,41,42,43,44);;;;;;/q;6*+1/p-6
IUPAC name hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfatoethylsulfonyl)anilino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-6-[(1,5-disulfonato-2-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonate, hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-6-[(1,5-disulfonato-2-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonate, hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]azo-6-[(1,5-disulfonato-2-naphthalenyl)azo]-5-hydroxynaphthalene-2,7-disulfonate, hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]azo-6-[(1,5-disulfo-2-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonic acid, hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo-6-[(1,5-disulfo-2-naphthalenyl)azo]-5-hydroxynaphthalene-2,7-disulfonic acid, hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfoxyethylsulfonyl)anilino]-s-triazin-2-yl]amino]-2-sulfo-phenyl]azo-6-[(1,5-disulfo-2-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonic acid, hexasodium;4-amino-3-[[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-6-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate, hexasodium;4-amino-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid, hexasodium;4-azanyl-3-[[5-[[4-chloranyl-6-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-6-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate, hexasodium;4-azanyl-3-[[5-[[4-chloranyl-6-[[3-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]-6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid
Molecular formula C37H23ClN10Na6O22S7, C37H29ClN10Na6O22S7+6
SMILES C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)O)N=NC4=C(C=C5C=C(C(=C(C5=C4N)O)N=NC6=C(C7=C(C=C6)C(=CC=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+], C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4=C(C=C5C=C(C(=C(C5=C4N)O)N=NC6=C(C7=C(C=C6)C(=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1a8e0d8b-cd44-4a68-b20a-c399e75ad33e hexasodium 2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl] amino]-2 sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 hexasodium 2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl] amino]-2 sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato- Emissions/Emissions to water/Emissions to fresh water 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=hexasodium2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-||dimension=Environmental > media=Air > strata=Unknown; cas=93912-64-2; added Common Chemistry CAS names as altLabel: 1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6), 1,5-Naphthalenedisulfonic acid, 2-[[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, hexasodium salt, Navy Blue CBF; object_uuid=fo-e5ec905114d5e389
cas_match_labels 1 — consensus_match group_key=hexasodium2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'93912-64-2': []}; assigned CAS labels from group consensus; object_uuid=fo-e5ec905114d5e389: {'93912-64-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93912-64-2', 'https://commonchemistry.cas.org/detail?cas_rn=93912-64-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,5-Naphthalenedisulfonic acid, 2-[[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, hexasodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93912-64-2', 'https://commonchemistry.cas.org/detail?cas_rn=93912-64-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Navy Blue CBF', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93912-64-2', 'https://commonchemistry.cas.org/detail?cas_rn=93912-64-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=hexasodium2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-||dimension=Environmental > media=Air > strata=Unknown; cas=93912-64-2; added Common Chemistry CAS names as altLabel: 1,5-Naphthalenedisulfonic acid, 2-[2-[8-amino-7-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:6), 1,5-Naphthalenedisulfonic acid, 2-[[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, hexasodium salt, Navy Blue CBF; object_uuid=fo-e5ec905114d5e389
cas_match_labels None {'93912-64-2': 'exactMatch'} group_key=hexasodium2-[8-amino-7-[[5-[[4-chloro-6-[[3-[[2-(sulfato)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2sulfonatophenyl]azo]-1-hydroxy-3,6-disulfonato-||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'93912-64-2': []}; assigned CAS labels from group consensus; object_uuid=fo-e5ec905114d5e389: {'93912-64-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "characterization_factor": 3787.2
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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": 6.1136e-7
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    {
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      "name": "Human toxicity, non-cancer_organics",
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.1136e-7
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    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 3787.2
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  "source": "EF 3.1",
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      "source_metadata": {
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        "C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4=C(C=C5C=C(C(=C(C5=C4N)O)N=NC6=C(C7=C(C=C6)C(=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"
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        "InChI=1S/C37H29ClN10O22S7.6Na/c38-35-42-36(40-18-3-1-4-20(15-18)71(50,51)12-11-70-77(67,68)69)44-37(43-35)41-19-7-10-26(73(55,56)57)24(16-19)46-47-31-27(74(58,59)60)13-17-14-28(75(61,62)63)32(33(49)29(17)30(31)39)48-45-23-9-8-21-22(34(23)76(64,65)66)5-2-6-25(21)72(52,53)54;;;;;;/h1-10,13-16,49H,11-12,39H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,40,41,42,43,44);;;;;;/q;6*+1/p-6"
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        "hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-6-[(1,5-disulfonato-2-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonate",
        "hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]azo-6-[(1,5-disulfonato-2-naphthalenyl)azo]-5-hydroxynaphthalene-2,7-disulfonate",
        "hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]azo-6-[(1,5-disulfo-2-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonic acid",
        "hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo-6-[(1,5-disulfo-2-naphthalenyl)azo]-5-hydroxynaphthalene-2,7-disulfonic acid",
        "hexasodium;4-amino-3-[5-[[4-chloro-6-[3-(2-sulfoxyethylsulfonyl)anilino]-s-triazin-2-yl]amino]-2-sulfo-phenyl]azo-6-[(1,5-disulfo-2-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonic acid",
        "hexasodium;4-amino-3-[[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-6-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",
        "hexasodium;4-amino-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",
        "hexasodium;4-azanyl-3-[[5-[[4-chloranyl-6-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-6-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonate",
        "hexasodium;4-azanyl-3-[[5-[[4-chloranyl-6-[[3-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]-6-[(1,5-disulfonaphthalen-2-yl)diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid"
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