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2,4-dichloro-5-(trifluoromethyl)pyrimidine

UUID cb615aa9-50b2-4670-9e3c-3ad9910ec5d5
Deprecated yes
Replaced By 45c94259-7e6b-4b2b-b087-4e282dabba2d
Flow Object IDfo-3dfddfa1901a1d49
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 39322-78-6
EC Numbers 254-414-3
prefLabel ⓘ
Language Value Provenance
en 2,4-dichloro-5-(trifluoromethyl)pyrimidine
altLabel ⓘ
Language Value Provenance
en Dodecyl phosphate potassium salt
en Emalox LPK
en FDI 01402K
en IT 1
en Lauryl phosphate potassium salt
en Lauryl potassium phosphate
en MA 24PK
en MA 24PK30
en MA 24PK50
en PK
en PK (finishing agent)
en Phosphoric acid, dodecyl ester, potassium salt
en Potassium dodecyl phosphate
en Potassium lauryl phosphate
References
Shared Properties
Predicate Value
InChIKey GFGRUNSBBKINEM-UHFFFAOYSA-N, GWTCIAGIKURVBJ-UHFFFAOYSA-L, IDRUEHMBFUJKAK-UHFFFAOYSA-N, MJHORFXTDAGQEU-UHFFFAOYSA-M, ZSIXKQBHGUBMCQ-UHFFFAOYSA-N
InChI InChI=1S/C12H26O.K.H3O4P.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;1-5(2,3)4;/h13H,2-12H2,1H3;;(H3,1,2,3,4);/q;+1;;-1, InChI=1S/C12H26O.K.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13;;1-5(2,3)4/h13H,2-12H2,1H3;;(H3,1,2,3,4), InChI=1S/C12H27O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h2-12H2,1H3,(H2,13,14,15);;/q;2*+1/p-2, InChI=1S/C12H27O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1, InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
IUPAC name 2,4-bis(chloranyl)-5-(trifluoromethyl)pyrimidine, 2,4-dichloro-5-(trifluoromethyl)pyrimidine, dipotassium;dodecyl phosphate, dipotassium;lauryl phosphate, potassium dodecyl hydrogen phosphate, potassium lauryl hydrogen phosphate, potassium;1-dodecanol;hydride;phosphoric acid, potassium;dodecan-1-ol;hydride;phosphoric acid
Molecular formula C12H25K2O4P, C12H26KO4P, C12H29KO5P, C12H30KO5P, C5HCl2F3N2
SMILES C1=C(C(=NC(=N1)Cl)Cl)C(F)(F)F, CCCCCCCCCCCCO.OP(=O)(O)O.[K], CCCCCCCCCCCCOP(=O)(O)[O-].[K+], CCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+], [H-].CCCCCCCCCCCCO.OP(=O)(O)O.[K+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 cb615aa9-50b2-4670-9e3c-3ad9910ec5d5 reaction mass of potassium didodecylphosphate and dipotassium dodecylphosphate and water

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=reactionmassofpotassiumdidodecylphosphateanddipotassiumdodecylphosphateandwater||dimension=Environmental > media=Water > water_body=Unknown; cas=39322-78-6; added Common Chemistry CAS names as altLabel: Dodecyl phosphate potassium salt, Emalox LPK, FDI 01402K, IT 1, Lauryl phosphate potassium salt, Lauryl potassium phosphate, MA 24PK, MA 24PK30, MA 24PK50, PK, PK (finishing agent), Phosphoric acid, dodecyl ester, potassium salt, Potassium dodecyl phosphate, Potassium lauryl phosphate; object_uuid=fo-3dfddfa1901a1d49
cas_match_labels 1 — consensus_match group_key=reactionmassofpotassiumdidodecylphosphateanddipotassiumdodecylphosphateandwater||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'39322-78-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3dfddfa1901a1d49: {'39322-78-6': 'exactMatch'}
prefLabel 1 — consensus_match group_key=reactionmassofpotassiumdidodecylphosphateanddipotassiumdodecylphosphateandwater||dimension=Environmental > media=Water > water_body=Unknown; cas=39322-78-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.9122; pubchem_entropy=3.9376; current_score=4.7022; pubchem_score=4.2976; score_improvement=0.4046; threshold=0.400; min_margin=0.400; object_uuid=fo-3dfddfa1901a1d49

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Reaction Mass Of Potassium Didodecylphosphate And Dipotassium Dodecylphosphate And Water', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '2,4-dichloro-5-(trifluoromethyl)pyrimidine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'name:2,4-dichloro-5-(trifluoromethyl)pyrimidine', 'https://pubchem.ncbi.nlm.nih.gov/compound/2782774'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=reactionmassofpotassiumdidodecylphosphateanddipotassiumdodecylphosphateandwater||dimension=Environmental > media=Water > water_body=Unknown; cas=39322-78-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.9122; pubchem_entropy=3.9376; current_score=4.7022; pubchem_score=4.2976; score_improvement=0.4046; threshold=0.400; min_margin=0.400; object_uuid=fo-3dfddfa1901a1d49
altLabel None [{'@value': 'Reaction Mass Of Potassium Didodecylphosphate And Dipotassium Dodecylphosphate And Water', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=reactionmassofpotassiumdidodecylphosphateanddipotassiumdodecylphosphateandwater||dimension=Environmental > media=Water > water_body=Unknown; cas=39322-78-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-3dfddfa1901a1d49
altLabel [{'@value': 'Reaction Mass Of Potassium Didodecylphosphate And Dipotassium Dodecylphosphate And Water', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': 'Dodecyl phosphate potassium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Emalox LPK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'FDI 01402K', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'IT 1', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lauryl phosphate potassium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lauryl potassium phosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MA 24PK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MA 24PK30', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MA 24PK50', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PK (finishing agent)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphoric acid, dodecyl ester, potassium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Potassium dodecyl phosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Potassium lauryl phosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39322-78-6', 'https://commonchemistry.cas.org/detail?cas_rn=39322-78-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=reactionmassofpotassiumdidodecylphosphateanddipotassiumdodecylphosphateandwater||dimension=Environmental > media=Water > water_body=Unknown; cas=39322-78-6; added Common Chemistry CAS names as altLabel: Dodecyl phosphate potassium salt, Emalox LPK, FDI 01402K, IT 1, Lauryl phosphate potassium salt, Lauryl potassium phosphate, MA 24PK, MA 24PK30, MA 24PK50, PK, PK (finishing agent), Phosphoric acid, dodecyl ester, potassium salt, Potassium dodecyl phosphate, Potassium lauryl phosphate; object_uuid=fo-3dfddfa1901a1d49
cas_match_labels None {'39322-78-6': 'exactMatch'} group_key=reactionmassofpotassiumdidodecylphosphateanddipotassiumdodecylphosphateandwater||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'39322-78-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3dfddfa1901a1d49: {'39322-78-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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