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[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic Acid, Sodium Salt

2D structure
UUID 32a2305c-c056-41b3-8a7f-38e9eef9ba57
Flow Object IDfo-8e002457be0d1758
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 22042-96-2
EC Numbers 244-751-4
prefLabel
Language Value Provenance
en [[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic Acid, Sodium Salt
altLabel
Language Value Provenance
en Briquest 221
en Briquest 543-25S
en Briquest 543-33S
en Briquest 543-45
en Briquest 543-45AS
en Cublen D 3217N
en DETPM
en Dequest 2066
en Dequest 4066
en Diethylenetriaminepenta(methylenephosphonic acid) sodium salt
en Masquol P 550
en Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt (1:?)
en Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt
en Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-, sodium salt
en Sequion 40Na32
en Wayplex 55S
References
Shared Properties
Predicate Value
InChIKey AWOKITWLIUHWGX-UHFFFAOYSA-N, ODBPOHVSVJZQRX-UHFFFAOYSA-M, PZWNKBUDRGSEOU-UHFFFAOYSA-D, TWGNYPMUYISTOD-UHFFFAOYSA-N, UCMHSABJWWEVSC-UHFFFAOYSA-L, XGCZDALYKDFQEI-UHFFFAOYSA-A
InChI InChI=1S/C9H28N3O15P5.2Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;/q;2*+1/p-2
IUPAC name Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-, sodium salt
Molecular formula C9H13N3Na20O30P10, C9H18N3Na10O15P5, C9H26N3Na2O15P5, C9H27N3NaO15P5, C9H28N3Na10O15P5, C9H28N3NaO15P5
Molecular mass 1412.734, 617.163
Monoisotopic mass 1412.491388, 616.984739
SMILES O=P([O-])([O-])CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O.[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 32a2305c-c056-41b3-8a7f-38e9eef9ba57 [[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic acid, sodium salt

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 [[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic acid, sodium salt 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=[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonicacid,sodiumsalt||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=22042-96-2; added Common Chemistry CAS names as altLabel: Briquest 221, Briquest 543-25S, Briquest 543-33S, Briquest 543-45, Briquest 543-45AS, Cublen D 3217N, DETPM, Dequest 2066, Dequest 4066, Diethylenetriaminepenta(methylenephosphonic acid) sodium salt, Masquol P 550, Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt (1:?), Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt, Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-, sodium salt, Sequion 40Na32, Wayplex 55S; object_uuid=fo-8e002457be0d1758
cas_match_labels 1 consensus_match group_key=[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonicacid,sodiumsalt||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'22042-96-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8e002457be0d1758: {'22042-96-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Briquest 221', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Briquest 543-25S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Briquest 543-33S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Briquest 543-45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Briquest 543-45AS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cublen D 3217N', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DETPM', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dequest 2066', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dequest 4066', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethylenetriaminepenta(methylenephosphonic acid) sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Masquol P 550', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt (1:?)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sequion 40Na32', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Wayplex 55S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:22042-96-2', 'https://commonchemistry.cas.org/detail?cas_rn=22042-96-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonicacid,sodiumsalt||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=22042-96-2; added Common Chemistry CAS names as altLabel: Briquest 221, Briquest 543-25S, Briquest 543-33S, Briquest 543-45, Briquest 543-45AS, Cublen D 3217N, DETPM, Dequest 2066, Dequest 4066, Diethylenetriaminepenta(methylenephosphonic acid) sodium salt, Masquol P 550, Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt (1:?), Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt, Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-, sodium salt, Sequion 40Na32, Wayplex 55S; object_uuid=fo-8e002457be0d1758
cas_match_labels None {'22042-96-2': 'exactMatch'} group_key=[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonicacid,sodiumsalt||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'22042-96-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8e002457be0d1758: {'22042-96-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "strata": "Aircraft cruise height"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
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      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 31.364
    },
    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 8.8392e-8
    },
    {
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      "name": "Human toxicity, non-cancer_organics",
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 8.8392e-8
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    {
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 31.364
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