364237 <common-name>(2,6-dimethylphenyl)-trifluoroboranuide</common-name> <description>(2,6-dimethylphenyl)-trifluoroboranuide is a compound with the formula C8H9BF3- and an average molecular weight of 172.97 g/mol.</description> <cas nil="true"/> <pubchem-id>3362145</pubchem-id> <chemical-formula>C8H9BF3-</chemical-formula> <weight>172.97</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T14:06:56Z</created-at> <updated-at type="dateTime">2026-09-01T14:06:56Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[B-](C1=C(C=CC=C1C)C)(F)(F)F</moldb-smiles> <moldb-formula>C8H9BF3-</moldb-formula> <moldb-inchi>InChI=1S/C8H9BF3/c1-6-4-3-5-7(2)8(6)9(10,11)12/h3-5H,1-2H3/q-1</moldb-inchi> <moldb-inchikey>KGODUBOUDWQCGI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">173.0749399</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM360130</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2,6-dimethylphenyl)-trifluoroboranuide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Xylenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0314242</sync-id> <structure-inchikey>KGODUBOUDWQCGI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000001000040000000800000010000000000000000000000000000000000000000000000000000000000000000080100000000000000000000000000000000000000000000000000000000000000000000000000000000002000000200000000800100000000000000000040000000000000800000000000000101000020000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBSAiAAAA/wQGQCgAAAAD BAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQG AGAAAAABAwYAYAAAAAEDCQAgAAAAAQkAIAAAAAEJACAAAAABCwABAAECaAwC A2gMAwRoDAQFaAwFBmgMBgcAAggAAAkAAAoAAAsABgFoDEIBAAAABgEGBQQD AhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:00:40Z</structure-indexed-at> </compound>