Adiponitrile

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UUID 1aca0929-adaf-42eb-a586-7dd5d04fe88f

Flow Object ID fo-610bcae75e6b6cb6

Source EF 3.1

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

CAS Numbers 111-69-3

EC Numbers 203-896-3

prefLabel

Language	Value	Provenance
`en`	`Adiponitrile`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,4-Dicyanobutane`
`en`	`Adipic acid dinitrile`
`en`	`Adipic acid nitrile`
`en`	`Adipic dinitrile`
`en`	`Adipodinitrile`
`en`	`Butanedicarbonitrile`
`en`	`Hexanedinitrile`
`en`	`NSC 7617`

References

Shared Properties

Predicate	Value
InChIKey	`BTGRAWJCKBQKAO-UHFFFAOYSA-N, WPPWEFVZGFJESZ-UHFFFAOYSA-N, YOOVTUPUBVHMPG-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H12O/c1-11-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3, InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13), InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2`
IUPAC name	`2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol, 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-methylol-tetrahydrofuran-3,4-diol, 2-(hydroxymethyl)-5-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)oxolane-3,4-diol, 5-methoxy-2,3-dihydro-1H-indene, 5-methoxyindane, adiponitrile, hexanedinitrile`
Molecular formula	`C10H12O, C11H16N4O5, C6H8N2`
SMILES	`C(CCC#N)CC#N, C1C(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)O, COC1=CC2=C(CCC2)C=C1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`1aca0929-adaf-42eb-a586-7dd5d04fe88f`	adiponitrile

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	adiponitrile	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=adiponitrile\|\|dimension=Environmental > media=Air > strata=Unknown; cas=111-69-3; added Common Chemistry CAS names as altLabel: 1,4-Dicyanobutane, Adipic acid dinitrile, Adipic acid nitrile, Adipic dinitrile, Adipodinitrile, Butanedicarbonitrile, Hexanedinitrile, NSC 7617; object_uuid=fo-610bcae75e6b6cb6
`cas_match_labels`	1	`—`	consensus_match	group_key=adiponitrile\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'111-69-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-610bcae75e6b6cb6: {'111-69-3': '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': '1,4-Dicyanobutane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=111-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Adipic acid dinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=111-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Adipic acid nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=111-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Adipic dinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=111-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Adipodinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=111-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanedicarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=111-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanedinitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=111-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 7617', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=111-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=adiponitrile\|\|dimension=Environmental > media=Air > strata=Unknown; cas=111-69-3; added Common Chemistry CAS names as altLabel: 1,4-Dicyanobutane, Adipic acid dinitrile, Adipic acid nitrile, Adipic dinitrile, Adipodinitrile, Butanedicarbonitrile, Hexanedinitrile, NSC 7617; object_uuid=fo-610bcae75e6b6cb6
`cas_match_labels`	`None`	`{'111-69-3': 'exactMatch'}`	group_key=adiponitrile\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'111-69-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-610bcae75e6b6cb6: {'111-69-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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