Isophthaloyl Dichloride

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UUID a86a248d-5ccf-411e-a28d-5d3ff2a1a518

Flow Object ID fo-0ad50d68ada682df

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

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	`a86a248d-5ccf-411e-a28d-5d3ff2a1a518`	isophthaloyl dichloride

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	isophthaloyl dichloride	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	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

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

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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