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2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, lithium sodium salt (1:?:?)

UUID 813ad62f-5e34-4e62-85ef-04c22bd92423
Flow Object IDfo-a7ff0099c3d5c815
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 108624-00-6
EC Numbers 401-560-2
prefLabel
Language Value Provenance
en 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, lithium sodium salt (1:?:?)
altLabel
Language Value Provenance
en 2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-5-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, lithium sodium salt
en C.I. 205069
en C.I. Reactive Blue 225
en EMPA 135
en Levafix Blue EBNA
en Levafix Marine Blue E-BNA
en Levafix Navy Blue E-BNA
en Navy Blue E-BNA
en Reactive Blue 225
en Lithium Sodium Hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate
References
Shared Properties
Predicate Value
InChIKey QXUWQYSHEPMJKM-UHFFFAOYSA-J
InChI InChI=1S/C28H21ClF2N8O16S5.2Li.2Na/c29-21-26(30)34-28(31)35-27(21)33-14-3-6-17(57(43,44)45)16(11-14)37-39-24-19(59(49,50)51)10-12-9-18(58(46,47)48)23(22(32)20(12)25(24)40)38-36-13-1-4-15(5-2-13)56(41,42)8-7-55-60(52,53)54;;;;/h1-6,9-11,40H,7-8,32H2,(H,33,34,35)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
IUPAC name dilithium;disodium;5-amino-3-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfonatophenyl]azo-4-hydroxy-6-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonate, dilithium;disodium;5-amino-3-[5-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-sulfonato-phenyl]azo-4-hydroxy-6-[4-(2-sulfatoethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate, dilithium;disodium;5-amino-3-[5-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-sulfonato-phenyl]azo-4-hydroxy-6-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate, dilithium;disodium;5-amino-3-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate, dilithium;disodium;5-azanyl-3-[[5-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-2-sulfonato-phenyl]diazenyl]-4-oxidanyl-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
Molecular formula C28H17ClF2Li2N8Na2O16S5
SMILES [Li+].[Li+].C1=CC(=CC=C1N=NC2=C(C=C3C=C(C(=C(C3=C2N)O)N=NC4=C(C=CC(=C4)NC5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 813ad62f-5e34-4e62-85ef-04c22bd92423 lithium sodium hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 lithium sodium hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate Emissions/Emissions to water/Emissions to water, unspecified 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=lithiumsodiumhydrogen4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=108624-00-6; added Common Chemistry CAS names as altLabel: 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, lithium sodium salt (1:?:?), 2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-5-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, lithium sodium salt, C.I. 205069, C.I. Reactive Blue 225, EMPA 135, Levafix Blue EBNA, Levafix Marine Blue E-BNA, Levafix Navy Blue E-BNA, Navy Blue E-BNA, Reactive Blue 225; object_uuid=fo-a7ff0099c3d5c815
cas_match_labels 1 consensus_match group_key=lithiumsodiumhydrogen4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'108624-00-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a7ff0099c3d5c815: {'108624-00-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, lithium sodium salt (1:?:?)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-5-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, lithium sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. 205069', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. Reactive Blue 225', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'EMPA 135', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Levafix Blue EBNA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Levafix Marine Blue E-BNA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Levafix Navy Blue E-BNA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Navy Blue E-BNA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reactive Blue 225', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108624-00-6', 'https://commonchemistry.cas.org/detail?cas_rn=108624-00-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=lithiumsodiumhydrogen4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=108624-00-6; added Common Chemistry CAS names as altLabel: 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, lithium sodium salt (1:?:?), 2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-5-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, lithium sodium salt, C.I. 205069, C.I. Reactive Blue 225, EMPA 135, Levafix Blue EBNA, Levafix Marine Blue E-BNA, Levafix Navy Blue E-BNA, Navy Blue E-BNA, Reactive Blue 225; object_uuid=fo-a7ff0099c3d5c815
cas_match_labels None {'108624-00-6': 'exactMatch'} group_key=lithiumsodiumhydrogen4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'108624-00-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a7ff0099c3d5c815: {'108624-00-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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