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Isophthaloyl Dichloride

UUID 9720fd4f-68ff-4e77-95d3-5c15c4a21d65
Flow Object IDfo-0ad50d68ada682df
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 99-63-8
EC Numbers 202-774-7
prefLabel
Language Value Provenance
en Isophthaloyl Dichloride
altLabel ⓘ
Language Value Provenance
en 1,3-Benzenedicarbonyl chloride
en 1,3-Benzenedicarbonyl dichloride
en 1,3-Benzenedicarboxylic dichloride
en 1,3-Bis(chlorocarbonyl)benzene
en 1,3-Di(chlorocarbonyl)benzene
en <em>m</em>-Benzenedicarbonyl chloride
en <em>m</em>-Phthalic dichloride
en <em>m</em>-Phthaloyl chloride
en <em>m</em>-Phthaloyl dichloride
en Isophthalic acid chloride
en Isophthalic acid dichloride
en Isophthalic chloride
en Isophthaloyl chloride
en Isophthalyl chloride
en Isophthalyl dichloride
en Isoterephthaloyl dichloride
en Isothaloyl chloride
en NSC 41884
References
Shared Properties
Predicate Value
InChIKey FDQSRULYDNDXQB-UHFFFAOYSA-N, KRNDIPHOJLIHRI-UHFFFAOYSA-N
InChI InChI=1S/C17H19N5O/c18-13-15-12-16(14-4-2-1-3-5-14)20-21-17(15)19-6-7-22-8-10-23-11-9-22/h1-5,12H,6-11H2,(H,19,21), InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H
IUPAC name 3-(2-morpholin-4-ylethylamino)-6-phenyl-pyridazine-4-carbonitrile, 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carbonitrile, 3-(2-morpholinoethylamino)-6-phenyl-pyridazine-4-carbonitrile, 3-[2-(4-morpholinyl)ethylamino]-6-phenyl-4-pyridazinecarbonitrile, benzene-1,3-dicarbonyl chloride
Molecular formula C17H19N5O, C8H4Cl2O2
SMILES C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl, C1COCCN1CCNC2=NN=C(C=C2C#N)C3=CC=CC=C3

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9720fd4f-68ff-4e77-95d3-5c15c4a21d65 isophthaloyl dichloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isophthaloyl dichloride 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=isophthaloyldichloride||dimension=Environmental > media=Ground > geography=Unknown; cas=99-63-8; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarbonyl chloride, 1,3-Benzenedicarbonyl dichloride, 1,3-Benzenedicarboxylic dichloride, 1,3-Bis(chlorocarbonyl)benzene, 1,3-Di(chlorocarbonyl)benzene, <em>m</em>-Benzenedicarbonyl chloride, <em>m</em>-Phthalic dichloride, <em>m</em>-Phthaloyl chloride, <em>m</em>-Phthaloyl dichloride, Isophthalic acid chloride, Isophthalic acid dichloride, Isophthalic chloride, Isophthaloyl chloride, Isophthalyl chloride, Isophthalyl dichloride, Isoterephthaloyl dichloride, Isothaloyl chloride, NSC 41884; object_uuid=fo-0ad50d68ada682df
cas_match_labels 1 — consensus_match group_key=isophthaloyldichloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'99-63-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0ad50d68ada682df: {'99-63-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Benzenedicarbonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Benzenedicarbonyl dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Benzenedicarboxylic dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Bis(chlorocarbonyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Di(chlorocarbonyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Benzenedicarbonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Phthalic dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Phthaloyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Phthaloyl dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalic acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalic acid dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalic chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthaloyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalyl dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isoterephthaloyl dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isothaloyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 41884', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-63-8', 'https://commonchemistry.cas.org/detail?cas_rn=99-63-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isophthaloyldichloride||dimension=Environmental > media=Ground > geography=Unknown; cas=99-63-8; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarbonyl chloride, 1,3-Benzenedicarbonyl dichloride, 1,3-Benzenedicarboxylic dichloride, 1,3-Bis(chlorocarbonyl)benzene, 1,3-Di(chlorocarbonyl)benzene, <em>m</em>-Benzenedicarbonyl chloride, <em>m</em>-Phthalic dichloride, <em>m</em>-Phthaloyl chloride, <em>m</em>-Phthaloyl dichloride, Isophthalic acid chloride, Isophthalic acid dichloride, Isophthalic chloride, Isophthaloyl chloride, Isophthalyl chloride, Isophthalyl dichloride, Isoterephthaloyl dichloride, Isothaloyl chloride, NSC 41884; object_uuid=fo-0ad50d68ada682df
cas_match_labels None {'99-63-8': 'exactMatch'} group_key=isophthaloyldichloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'99-63-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0ad50d68ada682df: {'99-63-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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