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O,o,o-tris-(4-isocyanatophenyl) Thiophosphate

2D structure
UUID 5cce16b4-67fd-4d03-8a09-00fd755e361d
Flow Object IDfo-c6cd4eea93ba4e4a
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 4151-51-3
EC Numbers 223-981-9
prefLabel
Language Value Provenance
en O,o,o-tris-(4-isocyanatophenyl) Thiophosphate
altLabel
Language Value Provenance
en DTXSID9063320
en Isocyanic acid, <em>p</em>-hydroxyphenyl ester, phosphorothioate (3:1) (ester)
en JQ 4
en Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate
en Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester)
en Phenol, <em>p</em>-isocyanato-, phosphorothioate (3:1) (ester)
en Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-tris(<em>p</em>-isocyanatophenyl) ester
en Thiophosphoric acid tris(<em>p</em>-isocyanatophenyl ester)
en Tri(4-phenyl isocyanate) thiophosphate
en Tris(4-isocyanatophenyl) thiophosphate
en Tris(<em>p</em>-isocyanatophenyl) monosulfophosphate
en Tris(<em>p</em>-isocyanatophenyl) thiophosphate
References
Shared Properties
Predicate Value
InChIKey GUYBWIMXUDUWPX-UHFFFAOYSA-N, KGLSETWPYVUTQX-UHFFFAOYSA-N, VIHAWACEODWWAQ-UHFFFAOYSA-N
InChI InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H
IUPAC name Tris(4-isocyanatophenyl) thiophosphate
Molecular formula C11H11ClO5, C21H12N3O6PS, C21H18N3O9PS
Molecular mass 465.383, 519.428
Monoisotopic mass 465.018443, 519.050137
SMILES O=C=Nc1ccc(OP(=S)(Oc2ccc(N=C=O)cc2)Oc2ccc(N=C=O)cc2)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5cce16b4-67fd-4d03-8a09-00fd755e361d o,o,o-tris-(4-isocyanatophenyl) thiophosphate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 o,o,o-tris-(4-isocyanatophenyl) thiophosphate Emissions/Emissions to soil/Emissions to non-agricultural soil 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=o,o,o-tris-(4-isocyanatophenyl)thiophosphate||dimension=Environmental > media=Air > strata=Unknown; cas=4151-51-3; added Common Chemistry CAS names as altLabel: DTXSID9063320, Isocyanic acid, <em>p</em>-hydroxyphenyl ester, phosphorothioate (3:1) (ester), JQ 4, Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate, Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester), Phenol, <em>p</em>-isocyanato-, phosphorothioate (3:1) (ester), Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-tris(<em>p</em>-isocyanatophenyl) ester, Thiophosphoric acid tris(<em>p</em>-isocyanatophenyl ester), Tri(4-phenyl isocyanate) thiophosphate, Tris(4-isocyanatophenyl) thiophosphate, Tris(<em>p</em>-isocyanatophenyl) monosulfophosphate, Tris(<em>p</em>-isocyanatophenyl) thiophosphate; object_uuid=fo-c6cd4eea93ba4e4a
cas_match_labels 1 consensus_match group_key=o,o,o-tris-(4-isocyanatophenyl)thiophosphate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'4151-51-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6cd4eea93ba4e4a: {'4151-51-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'DTXSID9063320', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, <em>p</em>-hydroxyphenyl ester, phosphorothioate (3:1) (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'JQ 4', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenol, <em>p</em>-isocyanato-, phosphorothioate (3:1) (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-tris(<em>p</em>-isocyanatophenyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thiophosphoric acid tris(<em>p</em>-isocyanatophenyl ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tri(4-phenyl isocyanate) thiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tris(4-isocyanatophenyl) thiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tris(<em>p</em>-isocyanatophenyl) monosulfophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tris(<em>p</em>-isocyanatophenyl) thiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4151-51-3', 'https://commonchemistry.cas.org/detail?cas_rn=4151-51-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=o,o,o-tris-(4-isocyanatophenyl)thiophosphate||dimension=Environmental > media=Air > strata=Unknown; cas=4151-51-3; added Common Chemistry CAS names as altLabel: DTXSID9063320, Isocyanic acid, <em>p</em>-hydroxyphenyl ester, phosphorothioate (3:1) (ester), JQ 4, Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate, Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester), Phenol, <em>p</em>-isocyanato-, phosphorothioate (3:1) (ester), Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-tris(<em>p</em>-isocyanatophenyl) ester, Thiophosphoric acid tris(<em>p</em>-isocyanatophenyl ester), Tri(4-phenyl isocyanate) thiophosphate, Tris(4-isocyanatophenyl) thiophosphate, Tris(<em>p</em>-isocyanatophenyl) monosulfophosphate, Tris(<em>p</em>-isocyanatophenyl) thiophosphate; object_uuid=fo-c6cd4eea93ba4e4a
cas_match_labels None {'4151-51-3': 'exactMatch'} group_key=o,o,o-tris-(4-isocyanatophenyl)thiophosphate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'4151-51-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6cd4eea93ba4e4a: {'4151-51-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "media": "Ground",
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  "unit": "kg",
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      "characterization_factor": 0.000028243
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