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2,6-difluorobenzonitrile

UUID 82348352-6386-42b3-9e42-0c32e1b8a4af
Flow Object IDfo-1f25b1c7a5db6a28
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 1897-52-5
EC Numbers 217-589-7
prefLabel
Language Value Provenance
en 2,6-difluorobenzonitrile
altLabel ⓘ
Language Value Provenance
en Benzonitrile, 2,6-difluoro-
References
Shared Properties
Predicate Value
InChIKey BNBRIFIJRKJGEI-UHFFFAOYSA-N, DDIHOTWRDMQMKT-UHFFFAOYSA-N
InChI InChI=1S/C18H20N2O5/c1-9-6-10(2)16(19(22)23)12(4)15(9)8-14-7-11(3)18(21)13(5)17(14)20(24)25/h6-7,21H,8H2,1-5H3, InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
IUPAC name 2,6-bis(fluoranyl)benzenecarbonitrile, 2,6-difluorobenzonitrile, 2,6-dimethyl-3-nitro-4-(2,4,6-trimethyl-3-nitro-benzyl)phenol, 2,6-dimethyl-3-nitro-4-[(2,4,6-trimethyl-3-nitro-phenyl)methyl]phenol, 2,6-dimethyl-3-nitro-4-[(2,4,6-trimethyl-3-nitrophenyl)methyl]phenol
Molecular formula C18H20N2O5, C7H3F2N
SMILES C1=CC(=C(C(=C1)F)C#N)F, CC1=CC(=C(C(=C1CC2=C(C(=C(C(=C2)C)O)C)[N+](=O)[O-])C)[N+](=O)[O-])C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 82348352-6386-42b3-9e42-0c32e1b8a4af 2,6-difluorobenzonitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,6-difluorobenzonitrile Emissions/Emissions to water/Emissions to fresh water 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=2,6-difluorobenzonitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=1897-52-5; added Common Chemistry CAS names as altLabel: Benzonitrile, 2,6-difluoro-; object_uuid=fo-1f25b1c7a5db6a28
cas_match_labels 1 — consensus_match group_key=2,6-difluorobenzonitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1897-52-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1f25b1c7a5db6a28: {'1897-52-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzonitrile, 2,6-difluoro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1897-52-5', 'https://commonchemistry.cas.org/detail?cas_rn=1897-52-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,6-difluorobenzonitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=1897-52-5; added Common Chemistry CAS names as altLabel: Benzonitrile, 2,6-difluoro-; object_uuid=fo-1f25b1c7a5db6a28
cas_match_labels None {'1897-52-5': 'exactMatch'} group_key=2,6-difluorobenzonitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1897-52-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1f25b1c7a5db6a28: {'1897-52-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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