4,4-Difluoro-5-methyl-4-bora-3,4-diaza-3-indacenedodecanoic acid
[CAS# 144672-74-2]

Identification

• Name: 4,4-Difluoro-5-methyl-4-bora-3,4-diaza-3-indacenedodecanoic acid
• Synonyms: Boron(+3) Cation; Hydron; 12-[5-[(Z)-(5-Methyl-2-Pyrrolylidene)Methyl]-2-Pyrrol-1-Idyl]Dodecanoate; Difluoride; Boron(+3) Cation; Hydron
• Molecular Formula: C₂₂H₃₁BF₂N₂O₂
• Molecular Weight: 404.31
• CAS Registry Number: 144672-74-2
• SMILES: [N-]1C(=CC=C1C)C=C2N=C(C=C2)CCCCCCCCCCCC([O-])=O.[B+3].[H+].[F-].[F-]
• InChI: 1S/C22H32N2O2.B.2FH/c1-18-13-14-20(23-18)17-21-16-15-19(24-21)11-9-7-5-3-2-4-6-8-10-12-22(25)26;;;/h13-17H,2-12H2,1H3,(H2,23,24,25,26);;2*1H/q;+3;;/p-3
• InChIKey: QNHKTYDNAXASKH-UHFFFAOYSA-K

Properties

• Boiling point: 551.3°C at 760 mmHg (Cal.)
• Flash point: 287.2°C (Cal.)