1,1',1''-methanetriyltris(4-isocyanatobenzene)

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1,1',1''-methanetriyltris(4-isocyanatobenzene)

UUID 6274f82f-ff62-48ff-a89f-2390d94fe336

Flow Object ID fo-ebe996a534d552dd

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 2422-91-5

EC Numbers 219-351-8

prefLabel

Language	Value	Provenance
`en`	`1,1',1''-methanetriyltris(4-isocyanatobenzene)`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,1′,1′′-Methylidynetris[4-isocyanatobenzene]`
`en`	`1-[Bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene`
`en`	`4,4′,4′′-Triisocyanatotriphenylmethane`
`en`	`4,4′,4′′-Triphenylmethane triisocyanate`
`en`	`Benzene, 1,1′,1′′-methylidynetris[4-isocyanato-`
`en`	`Isocyanic acid, methylidynetri-<em>p</em>-phenylene ester`
`en`	`JQ 1`
`en`	`Methane, tris(<em>p</em>-isocyanatophenyl)-`
`en`	`Methylidynetri-<em>p</em>-phenylene isocyanate`
`en`	`TTI`
`en`	`Triphenylmethane-4,4′,4′′-triyl triisocyanate`
`en`	`Tris(4-isocyanatophenyl)methane`
`en`	`Tris(<em>p</em>-isocyanatophenyl)methane`

References

Shared Properties

Predicate	Value
InChIKey	`KIBNFCSPPOYXPP-UHFFFAOYSA-N, LTIKIBFTASQKMM-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H10N2O2S/c1-8-10-7-11(13(16)17)18-12(10)15(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17), InChI=1S/C22H13N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-12,22H`
IUPAC name	`1-[bis(4-isocyanatophenyl)methyl]-4-isocyanato-benzene, 1-[bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene, 3-methyl-1-phenyl-5-thieno[3,2-d]pyrazolecarboxylic acid, 3-methyl-1-phenyl-thieno[3,2-d]pyrazole-5-carboxylic acid, 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylic acid`
Molecular formula	`C13H10N2O2S, C22H13N3O3`
SMILES	`C1=CC(=CC=C1C(C2=CC=C(C=C2)N=C=O)C3=CC=C(C=C3)N=C=O)N=C=O, CC1=NN(C2=C1C=C(S2)C(=O)O)C3=CC=CC=C3`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`6274f82f-ff62-48ff-a89f-2390d94fe336`	1,1',1''-methanetriyltris(4-isocyanatobenzene)

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,1',1''-methanetriyltris(4-isocyanatobenzene)	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=1,1',1''-methanetriyltris(4-isocyanatobenzene)\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=2422-91-5; added Common Chemistry CAS names as altLabel: 1,1′,1′′-Methylidynetris[4-isocyanatobenzene], 1-[Bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene, 4,4′,4′′-Triisocyanatotriphenylmethane, 4,4′,4′′-Triphenylmethane triisocyanate, Benzene, 1,1′,1′′-methylidynetris[4-isocyanato-, Isocyanic acid, methylidynetri-<em>p</em>-phenylene ester, JQ 1, Methane, tris(<em>p</em>-isocyanatophenyl)-, Methylidynetri-<em>p</em>-phenylene isocyanate, TTI, Triphenylmethane-4,4′,4′′-triyl triisocyanate, Tris(4-isocyanatophenyl)methane, Tris(<em>p</em>-isocyanatophenyl)methane; object_uuid=fo-ebe996a534d552dd
`cas_match_labels`	1	`—`	consensus_match	group_key=1,1',1''-methanetriyltris(4-isocyanatobenzene)\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2422-91-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ebe996a534d552dd: {'2422-91-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,1′,1′′-Methylidynetris[4-isocyanatobenzene]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[Bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′,4′′-Triisocyanatotriphenylmethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′,4′′-Triphenylmethane triisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1,1′,1′′-methylidynetris[4-isocyanato-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, methylidynetri-<em>p</em>-phenylene ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'JQ 1', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methane, tris(<em>p</em>-isocyanatophenyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylidynetri-<em>p</em>-phenylene isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TTI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Triphenylmethane-4,4′,4′′-triyl triisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tris(4-isocyanatophenyl)methane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tris(<em>p</em>-isocyanatophenyl)methane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2422-91-5', 'https://commonchemistry.cas.org/detail?cas_rn=2422-91-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,1',1''-methanetriyltris(4-isocyanatobenzene)\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=2422-91-5; added Common Chemistry CAS names as altLabel: 1,1′,1′′-Methylidynetris[4-isocyanatobenzene], 1-[Bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene, 4,4′,4′′-Triisocyanatotriphenylmethane, 4,4′,4′′-Triphenylmethane triisocyanate, Benzene, 1,1′,1′′-methylidynetris[4-isocyanato-, Isocyanic acid, methylidynetri-<em>p</em>-phenylene ester, JQ 1, Methane, tris(<em>p</em>-isocyanatophenyl)-, Methylidynetri-<em>p</em>-phenylene isocyanate, TTI, Triphenylmethane-4,4′,4′′-triyl triisocyanate, Tris(4-isocyanatophenyl)methane, Tris(<em>p</em>-isocyanatophenyl)methane; object_uuid=fo-ebe996a534d552dd
`cas_match_labels`	`None`	`{'2422-91-5': 'exactMatch'}`	group_key=1,1',1''-methanetriyltris(4-isocyanatobenzene)\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2422-91-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ebe996a534d552dd: {'2422-91-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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