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Chlorfenac-sodium

UUID dbdc8c3c-ced8-4e84-b52b-1cf240742cca
Flow Object IDfo-38b0949394468715
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 2439-00-1
EC Numbers 219-454-8
prefLabel
Language Value Provenance
en Chlorfenac-sodium
altLabel ⓘ
Language Value Provenance
en 2,3,6-trichlorobenzeneacetic acid sodium salt
en 2,3,6-trichlorophenylacetic acid, sodium salt
en sodium (2,3,6-trichlorophenyl)acetate
en sodium 2,3,6-trichlorobenzeneacetate
en sodium chlorfenac
en ACP M-673-A
en Acetic acid, (2,3,6-trichlorophenyl)-, sodium salt
en Benzeneacetic acid, 2,3,6-trichloro-, sodium salt
en Benzeneacetic acid, 2,3,6-trichloro-, sodium salt (1:1)
en Chlorfenac sodium salt
en Fenac sodium salt
en HRS 211
en Sodium 2,3,6-trichlorophenylacetate
Definitions
Language Value Provenance
en An organic sodium salt comprising equimolar amounts of chlorfenac(1-) anions and sodium cations. An obsolete herbicide.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey YPWJVPXHSDMPQB-UHFFFAOYSA-M
InChI InChI=1S/C8H5Cl3O2.Na/c9-5-1-2-6(10)8(11)4(5)3-7(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1
IUPAC name sodium 2-(2,3,6-trichlorophenyl)acetate, sodium 2-[2,3,6-tris(chloranyl)phenyl]ethanoate
Molecular formula C8H4Cl3NaO2, C8H4Cl3O2.Na
Molecular mass 261.467
Monoisotopic mass 259.91746
SMILES C1=CC(=C(C(=C1Cl)CC(=O)[O-])Cl)Cl.[Na+], O=C([O-])Cc1c(Cl)ccc(Cl)c1Cl.[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 dbdc8c3c-ced8-4e84-b52b-1cf240742cca sodium 2,3,6-trichlorophenylacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium 2,3,6-trichlorophenylacetate Emissions/Emissions to water/Emissions to fresh water 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=sodium2,3,6-trichlorophenylacetate||dimension=Environmental > media=Air > indoor=Unknown; cas=2439-00-1; added Common Chemistry CAS names as altLabel: ACP M-673-A, Acetic acid, (2,3,6-trichlorophenyl)-, sodium salt, Benzeneacetic acid, 2,3,6-trichloro-, sodium salt, Benzeneacetic acid, 2,3,6-trichloro-, sodium salt (1:1), Chlorfenac sodium salt, Chlorfenac-sodium, Fenac sodium salt, HRS 211; object_uuid=fo-38b0949394468715
cas_match_labels 1 — consensus_match group_key=sodium2,3,6-trichlorophenylacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2439-00-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-38b0949394468715: {'2439-00-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2,3,6-trichlorobenzeneacetic acid sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,3,6-trichlorobenzeneacetic acid sodium salt', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,3,6-trichlorophenylacetic acid, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,3,6-trichlorophenylacetic acid, sodium salt', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium (2,3,6-trichlorophenyl)acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium (2,3,6-trichlorophenyl)acetate', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium 2,3,6-trichlorobenzeneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium 2,3,6-trichlorobenzeneacetate', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium chlorfenac', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium chlorfenac', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2,3,6-trichlorobenzeneacetic acid sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,3,6-trichlorobenzeneacetic acid sodium salt', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,3,6-trichlorophenylacetic acid, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,3,6-trichlorophenylacetic acid, sodium salt', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium (2,3,6-trichlorophenyl)acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium (2,3,6-trichlorophenyl)acetate', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium 2,3,6-trichlorobenzeneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium 2,3,6-trichlorobenzeneacetate', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium chlorfenac', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium chlorfenac', 'http://purl.obolibrary.org/obo/CHEBI_142833', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ACP M-673-A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2439-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=2439-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, (2,3,6-trichlorophenyl)-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2439-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=2439-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, 2,3,6-trichloro-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2439-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=2439-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, 2,3,6-trichloro-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2439-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=2439-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chlorfenac sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2439-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=2439-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chlorfenac-sodium', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2439-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=2439-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fenac sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2439-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=2439-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'HRS 211', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2439-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=2439-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodium2,3,6-trichlorophenylacetate||dimension=Environmental > media=Air > indoor=Unknown; cas=2439-00-1; added Common Chemistry CAS names as altLabel: ACP M-673-A, Acetic acid, (2,3,6-trichlorophenyl)-, sodium salt, Benzeneacetic acid, 2,3,6-trichloro-, sodium salt, Benzeneacetic acid, 2,3,6-trichloro-, sodium salt (1:1), Chlorfenac sodium salt, Chlorfenac-sodium, Fenac sodium salt, HRS 211; object_uuid=fo-38b0949394468715
cas_match_labels None {'2439-00-1': 'exactMatch'} group_key=sodium2,3,6-trichlorophenylacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2439-00-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-38b0949394468715: {'2439-00-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
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