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Calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate

UUID 094bd609-601d-47e2-abc4-c2d2b3a49422
Flow Object IDfo-62f28b694e0ba74a
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 65212-77-3
EC Numbers 265-634-4
prefLabel
Language Value Provenance
en Calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate
altLabel
Language Value Provenance
en Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]diazenyl]-, calcium salt (1:1)
en Benzenesulfonic acid, 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]azo]-, calcium salt (1:1)
en C.I. 18792
en C.I. Pigment Yellow 183
en K 2270
en PY 183
en Paliotol YW-K 1800
en Paliotol Yellow K 1800
en Paliotol Yellow K 2270
en Pigment Yellow 183
en Seramol Yellow XF
References
Shared Properties
Predicate Value
InChIKey BWUGZCWXXDSRJL-UHFFFAOYSA-L, INLIRBOSAZHETK-UHFFFAOYSA-L, KJAXOZTWNHRZQG-UHFFFAOYSA-L, RWRFRSZHRFHQEO-UHFFFAOYSA-N
InChI InChI=1S/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);, InChI=1S/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2, InChI=1S/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,21H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2, InChI=1S/C16H14Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,11-12,21H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2
IUPAC name calcium 3,4-bis(chloranyl)-6-[[5-methyl-3-oxidanylidene-2-(3-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]cyclohexa-1,5-diene-1-sulfonate, calcium 3,4-dichloro-6-[[5-keto-3-methyl-1-(3-sulfonatophenyl)-3-pyrazolin-4-yl]azo]cyclohexa-1,5-diene-1-sulfonate, calcium 3,4-dichloro-6-[[5-methyl-3-oxo-2-(3-sulfonatophenyl)-1H-pyrazol-4-yl]azo]-1-cyclohexa-1,5-dienesulfonate, calcium 3,4-dichloro-6-[[5-methyl-3-oxo-2-(3-sulfonatophenyl)-1H-pyrazol-4-yl]azo]cyclohexa-1,5-diene-1-sulfonate, calcium 3,4-dichloro-6-[[5-methyl-3-oxo-2-(3-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]cyclohexa-1,5-diene-1-sulfonate, calcium 4,5-bis(chloranyl)-2-[[3-methyl-5-oxidanylidene-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate, calcium 4,5-bis(chloranyl)-2-[[5-methyl-3-oxidanylidene-2-(3-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonate, calcium 4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonate, calcium 4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate, calcium 4,5-dichloro-2-[[5-keto-3-methyl-1-(3-sulfonatophenyl)-2-pyrazolin-4-yl]azo]besylate, calcium 4,5-dichloro-2-[[5-keto-3-methyl-1-(3-sulfonatophenyl)-3-pyrazolin-4-yl]azo]besylate, calcium 4,5-dichloro-2-[[5-methyl-3-oxo-2-(3-sulfonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonate, calcium 4,5-dichloro-2-[[5-methyl-3-oxo-2-(3-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonate
Molecular formula C16H10CaCl2N4O7S2, C16H12CaCl2N4O7S2
SMILES CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)[O-])N=NC3=CC(=C(C=C3S(=O)(=O)[O-])Cl)Cl.[Ca+2], CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)[O-])N=NC3=CC(C(C=C3S(=O)(=O)[O-])Cl)Cl.[Ca+2], CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2S(=O)(=O)O)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)O.[Ca], CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2S(=O)(=O)[O-])Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)[O-].[Ca+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 094bd609-601d-47e2-abc4-c2d2b3a49422 calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=calcium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=65212-77-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]diazenyl]-, calcium salt (1:1), Benzenesulfonic acid, 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]azo]-, calcium salt (1:1), C.I. 18792, C.I. Pigment Yellow 183, K 2270, PY 183, Paliotol YW-K 1800, Paliotol Yellow K 1800, Paliotol Yellow K 2270, Pigment Yellow 183, Seramol Yellow XF; object_uuid=fo-62f28b694e0ba74a
cas_match_labels 1 consensus_match group_key=calcium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'65212-77-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-62f28b694e0ba74a: {'65212-77-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]diazenyl]-, calcium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]azo]-, calcium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. 18792', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. Pigment Yellow 183', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'K 2270', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PY 183', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paliotol YW-K 1800', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paliotol Yellow K 1800', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paliotol Yellow K 2270', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pigment Yellow 183', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Seramol Yellow XF', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:65212-77-3', 'https://commonchemistry.cas.org/detail?cas_rn=65212-77-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=calcium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=65212-77-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]diazenyl]-, calcium salt (1:1), Benzenesulfonic acid, 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]azo]-, calcium salt (1:1), C.I. 18792, C.I. Pigment Yellow 183, K 2270, PY 183, Paliotol YW-K 1800, Paliotol Yellow K 1800, Paliotol Yellow K 2270, Pigment Yellow 183, Seramol Yellow XF; object_uuid=fo-62f28b694e0ba74a
cas_match_labels None {'65212-77-3': 'exactMatch'} group_key=calcium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'65212-77-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-62f28b694e0ba74a: {'65212-77-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "calcium 3,4-dichloro-6-[[5-keto-3-methyl-1-(3-sulfonatophenyl)-3-pyrazolin-4-yl]azo]cyclohexa-1,5-diene-1-sulfonate",
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        "calcium 4,5-dichloro-2-[[5-keto-3-methyl-1-(3-sulfonatophenyl)-2-pyrazolin-4-yl]azo]besylate",
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