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1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene

UUID 7aff86d7-98b5-4df9-9d74-f5b666440e29
Flow Object IDfo-b81b69a84d1fd304
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 91-97-4
EC Numbers 202-112-7
prefLabel
Language Value Provenance
en 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene
altLabel ⓘ
Language Value Provenance
en 1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-
en 1-Isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
en 3,3′-Bitolylene-4,4′-diisocyanate
en 3,3′-Dimethyl-4,4′-biphenylene diisocyanate
en 3,3′-Dimethyl-4,4′-biphenylene isocyanate
en 3,3′-Dimethyl-4,4′-biphenylylene diisocyanate
en 3,3′-Dimethyl-4,4′-diisocyanatobiphenyl
en 3,3′-Dimethyl-4,4′-diphenylene diisocyanate
en 3,3′-Dimethylbiphenyl 4,4′-diisocyanate
en 4,4′-Diisocyanato-3,3-dimethylbiphenyl
en 4,4′-Diisocyanato-3,3′-bitolyl
en 4,4′-Diisocyanato-3,3′-dimethyl-1,1′-biphenyl
en 4,4′-Diisocyanato-3,3′-dimethylbiphenyl
en 4,4′-Diisocyanato-3,3′-dimethyldiphenyl
en <em>o</em>-Tolidine diisocyanate
en Bitolylene diisocyanate
en Isocyanic acid, 3,3′-dimethyl-4,4′-biphenylylene ester
en NSC 9599
en Nacconate 200
en TODI
References
Shared Properties
Predicate Value
InChIKey CPWKVIIEVUNMQB-UHFFFAOYSA-N, ICLCCFKUSALICQ-UHFFFAOYSA-N
InChI InChI=1S/C12H15FN3O5P/c1-22(13,19)20-8-4-2-3-5-9-6-7-10(16(17)18)12-11(9)14-21-15-12/h6-7H,2-5,8H2,1H3, InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3
IUPAC name 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene, 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene, 4-[5-[fluoro(methyl)phosphoryl]oxypentyl]-7-nitro-benzofurazan, 7-[5-[fluoranyl(methyl)phosphoryl]oxypentyl]-4-nitro-2,1,3-benzoxadiazole, 7-[5-[fluoro(methyl)phosphoryl]oxypentyl]-4-nitro-2,1,3-benzoxadiazole
Molecular formula C12H15FN3O5P, C16H12N2O2
SMILES CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O, CP(=O)(OCCCCCC1=CC=C(C2=NON=C12)[N+](=O)[O-])F

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7aff86d7-98b5-4df9-9d74-f5b666440e29 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene Emissions/Emissions to water/Emissions to water, unspecified 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-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene||dimension=Environmental > media=Water > water_body=Ocean; cas=91-97-4; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-, 1-Isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene, 3,3′-Bitolylene-4,4′-diisocyanate, 3,3′-Dimethyl-4,4′-biphenylene diisocyanate, 3,3′-Dimethyl-4,4′-biphenylene isocyanate, 3,3′-Dimethyl-4,4′-biphenylylene diisocyanate, 3,3′-Dimethyl-4,4′-diisocyanatobiphenyl, 3,3′-Dimethyl-4,4′-diphenylene diisocyanate, 3,3′-Dimethylbiphenyl 4,4′-diisocyanate, 4,4′-Diisocyanato-3,3-dimethylbiphenyl, 4,4′-Diisocyanato-3,3′-bitolyl, 4,4′-Diisocyanato-3,3′-dimethyl-1,1′-biphenyl, 4,4′-Diisocyanato-3,3′-dimethylbiphenyl, 4,4′-Diisocyanato-3,3′-dimethyldiphenyl, <em>o</em>-Tolidine diisocyanate, Bitolylene diisocyanate, Isocyanic acid, 3,3′-dimethyl-4,4′-biphenylylene ester, NSC 9599, Nacconate 200, TODI; object_uuid=fo-b81b69a84d1fd304
cas_match_labels 1 — consensus_match group_key=1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'91-97-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b81b69a84d1fd304: {'91-97-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Bitolylene-4,4′-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Dimethyl-4,4′-biphenylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Dimethyl-4,4′-biphenylene isocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Dimethyl-4,4′-biphenylylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Dimethyl-4,4′-diisocyanatobiphenyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Dimethyl-4,4′-diphenylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Dimethylbiphenyl 4,4′-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Diisocyanato-3,3-dimethylbiphenyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Diisocyanato-3,3′-bitolyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Diisocyanato-3,3′-dimethyl-1,1′-biphenyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Diisocyanato-3,3′-dimethylbiphenyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Diisocyanato-3,3′-dimethyldiphenyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>o</em>-Tolidine diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bitolylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, 3,3′-dimethyl-4,4′-biphenylylene ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 9599', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nacconate 200', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TODI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene||dimension=Environmental > media=Water > water_body=Ocean; cas=91-97-4; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-, 1-Isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene, 3,3′-Bitolylene-4,4′-diisocyanate, 3,3′-Dimethyl-4,4′-biphenylene diisocyanate, 3,3′-Dimethyl-4,4′-biphenylene isocyanate, 3,3′-Dimethyl-4,4′-biphenylylene diisocyanate, 3,3′-Dimethyl-4,4′-diisocyanatobiphenyl, 3,3′-Dimethyl-4,4′-diphenylene diisocyanate, 3,3′-Dimethylbiphenyl 4,4′-diisocyanate, 4,4′-Diisocyanato-3,3-dimethylbiphenyl, 4,4′-Diisocyanato-3,3′-bitolyl, 4,4′-Diisocyanato-3,3′-dimethyl-1,1′-biphenyl, 4,4′-Diisocyanato-3,3′-dimethylbiphenyl, 4,4′-Diisocyanato-3,3′-dimethyldiphenyl, <em>o</em>-Tolidine diisocyanate, Bitolylene diisocyanate, Isocyanic acid, 3,3′-dimethyl-4,4′-biphenylylene ester, NSC 9599, Nacconate 200, TODI; object_uuid=fo-b81b69a84d1fd304
cas_match_labels None {'91-97-4': 'exactMatch'} group_key=1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'91-97-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b81b69a84d1fd304: {'91-97-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Unknown"
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  "general_comment": null,
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  "unit": "kg",
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