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Tri-sodium 7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine- 2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate

UUID ae8905c7-7f77-4ccb-b6b9-17424e61bd04
Flow Object IDfo-f47e9fb98a69e952
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 106359-91-5
EC Numbers 402-170-5
prefLabel
Language Value Provenance
en Tri-sodium 7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine- 2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate
altLabel ⓘ
Language Value Provenance
en 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3)
en 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt
en C.I. 132485
en C.I. Reactive Yellow 174
en Cibacron Yellow CRG
en Novacron Yellow C-RG
en Reactive Yellow 174
References
Shared Properties
Predicate Value
InChIKey BTCMRMVIDXSNEW-UHFFFAOYSA-K, UDGANYTVZCQILT-UHFFFAOYSA-N
InChI InChI=1S/C26H26FN9O13S4.3Na/c1-2-50(38,39)8-7-49-6-5-29-25-32-23(27)33-26(34-25)30-15-3-4-18(19(11-15)31-24(28)37)35-36-20-13-17-14(10-22(20)53(46,47)48)9-16(51(40,41)42)12-21(17)52(43,44)45;;;/h2-4,9-13H,1,5-8H2,(H3,28,31,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,29,30,32,33,34);;;, InChI=1S/C26H26FN9O13S4.3Na/c1-2-50(38,39)8-7-49-6-5-29-25-32-23(27)33-26(34-25)30-15-3-4-18(19(11-15)31-24(28)37)35-36-20-13-17-14(10-22(20)53(46,47)48)9-16(51(40,41)42)12-21(17)52(43,44)45;;;/h2-4,9-13H,1,5-8H2,(H3,28,31,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,29,30,32,33,34);;;/q;3*+1/p-3
IUPAC name trisodium;7-[2-(carbamoylamino)-4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonate, trisodium;7-[2-[[amino(oxido)methylene]amino]-4-[[4-fluoro-6-[2-(2-vinylsulfonylethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]azo-6-sulfo-naphthalene-1,3-disulfonate, trisodium;7-[2-[[amino(oxido)methylene]amino]-4-[[4-fluoro-6-[2-(2-vinylsulfonylethoxy)ethylamino]-s-triazin-2-yl]amino]phenyl]azo-6-sulfo-naphthalene-1,3-disulfonate, trisodium;7-[2-[[amino(oxido)methylidene]amino]-4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo-6-sulfonaphthalene-1,3-disulfonate, trisodium;7-[4-[[4-fluoro-6-[2-(2-vinylsulfonylethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate, trisodium;7-[4-[[4-fluoro-6-[2-(2-vinylsulfonylethoxy)ethylamino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate, trisodium;7-[[2-(aminocarbonylamino)-4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate, trisodium;7-[[2-(carbamoylamino)-4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate, trisodium;7-[[2-[[amino(oxido)methylidene]amino]-4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-6-sulfonaphthalene-1,3-disulfonate, trisodium;7-[[2-[[azanyl(oxidanidyl)methylidene]amino]-4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-6-sulfo-naphthalene-1,3-disulfonate
Molecular formula C26H23FN9Na3O13S4, C26H26FN9Na3O13S4
SMILES C=CS(=O)(=O)CCOCCNC1=NC(=NC(=N1)F)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N.[Na].[Na].[Na], C=CS(=O)(=O)CCOCCNC1=NC(=NC(=N1)F)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])N=C(N)[O-].[Na+].[Na+].[Na+], C=CS(=O)(=O)CCOCCNC1=NC(=NC(=N1)F)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N.[Na+].[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ae8905c7-7f77-4ccb-b6b9-17424e61bd04 tri-sodium 7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine- 2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tri-sodium 7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine- 2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate 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=tri-sodium7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine-2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=106359-91-5; added Common Chemistry CAS names as altLabel: 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3), 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt, C.I. 132485, C.I. Reactive Yellow 174, Cibacron Yellow CRG, Novacron Yellow C-RG, Reactive Yellow 174; object_uuid=fo-f47e9fb98a69e952
cas_match_labels 1 — consensus_match group_key=tri-sodium7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine-2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'106359-91-5': []}; assigned CAS labels from group consensus; object_uuid=fo-f47e9fb98a69e952: {'106359-91-5': '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': '1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106359-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=106359-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106359-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=106359-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. 132485', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106359-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=106359-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. Reactive Yellow 174', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106359-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=106359-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cibacron Yellow CRG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106359-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=106359-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Novacron Yellow C-RG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106359-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=106359-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reactive Yellow 174', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106359-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=106359-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tri-sodium7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine-2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=106359-91-5; added Common Chemistry CAS names as altLabel: 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3), 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt, C.I. 132485, C.I. Reactive Yellow 174, Cibacron Yellow CRG, Novacron Yellow C-RG, Reactive Yellow 174; object_uuid=fo-f47e9fb98a69e952
cas_match_labels None {'106359-91-5': 'exactMatch'} group_key=tri-sodium7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine-2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'106359-91-5': []}; assigned CAS labels from group consensus; object_uuid=fo-f47e9fb98a69e952: {'106359-91-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 141.13
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  "source": "EF 3.1",
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        "trisodium;7-[2-[[amino(oxido)methylene]amino]-4-[[4-fluoro-6-[2-(2-vinylsulfonylethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]azo-6-sulfo-naphthalene-1,3-disulfonate",
        "trisodium;7-[2-[[amino(oxido)methylene]amino]-4-[[4-fluoro-6-[2-(2-vinylsulfonylethoxy)ethylamino]-s-triazin-2-yl]amino]phenyl]azo-6-sulfo-naphthalene-1,3-disulfonate",
        "trisodium;7-[2-[[amino(oxido)methylidene]amino]-4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo-6-sulfonaphthalene-1,3-disulfonate",
        "trisodium;7-[4-[[4-fluoro-6-[2-(2-vinylsulfonylethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate",
        "trisodium;7-[4-[[4-fluoro-6-[2-(2-vinylsulfonylethoxy)ethylamino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate",
        "trisodium;7-[[2-(aminocarbonylamino)-4-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate",
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