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2,6-difluorobenzonitrile

Flow Object IDfo-1f25b1c7a5db6a28
TypeConsensus
prefLabel
Label Language
2,6-difluorobenzonitrile en
Alt Labels
Label Language Provenance
Benzonitrile, 2,6-difluoro- en —
CAS Numbers1897-52-5
EC Numbers217-589-7
Changes Applied26

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

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
85208cf0… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
60018696… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
aad4c557… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
5381775f… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
3135dc02… EF 3.1 kg Environmental → Air → Unknown 2 2
3b6a9877… EF 3.1 kg Environmental → Air → Unknown 2 2
7a40c8dc… EF 3.1 kg Environmental → Ground → Agricultural 2 2
2996d9a5… EF 3.1 kg Environmental → Ground → Unknown 2 2
d0f42dba… EF 3.1 kg Environmental → Water → Ocean 2 2
82348352… EF 3.1 kg Environmental → Water → Surface water 2 2
060f4e02… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
060f4e02… altLabel — [{"@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
060f4e02… cas_match_labels — {"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'}
2996d9a5… altLabel — [{"@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
2996d9a5… cas_match_labels — {"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'}
3135dc02… altLabel — [{"@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
3135dc02… cas_match_labels — {"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'}
3b6a9877… altLabel — [{"@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
3b6a9877… cas_match_labels — {"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'}
5381775f… altLabel — [{"@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
5381775f… cas_match_labels — {"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'}
60018696… altLabel — [{"@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
60018696… cas_match_labels — {"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'}
625f4cb3… altLabel — [{"@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
625f4cb3… cas_match_labels — {"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'}
7a40c8dc… altLabel — [{"@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
7a40c8dc… cas_match_labels — {"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'}
82348352… altLabel — [{"@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
82348352… cas_match_labels — {"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'}
85208cf0… altLabel — [{"@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
85208cf0… cas_match_labels — {"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'}
aad4c557… altLabel — [{"@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
aad4c557… cas_match_labels — {"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'}
ab784251… altLabel — [{"@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
ab784251… cas_match_labels — {"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'}
d0f42dba… altLabel — [{"@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
d0f42dba… cas_match_labels — {"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'}

Flow Object JSON

{
  "flow_object_id": "fo-1f25b1c7a5db6a28",
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      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "Benzonitrile, 2,6-difluoro-",
      "@language": "en",
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  "properties": {
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      "@value": [
        "C18H20N2O5",
        "C7H3F2N"
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      "rdfs:label": "Molecular formula",
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      "@value": [
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        "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",
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