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Isophthaloyl Dichloride

UUID 6c8e844a-d8de-4d03-ab12-6fd167e5be5b
Deprecated yes
Replaced By 06764663-871c-467f-ba7e-c4598f0b6700
Flow Object IDfo-0ad50d68ada682df
Source EF 3.1
Context Environmental → Ground → 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
Molecular mass 203.024
Monoisotopic mass 201.958835
SMILES C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl, C1COCCN1CCNC2=NN=C(C=C2C#N)C3=CC=CC=C3, O=C(Cl)c1cccc(C(=O)Cl)c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 6c8e844a-d8de-4d03-ab12-6fd167e5be5b isophthaloyl dichloride

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
mediaGround
geographyUnknown

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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