3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxaphosphol-1-ium]

Base Information

• Chemical Name: 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxaphosphol-1-ium]
• CAS No.: 77121-88-1
• Molecular Formula: C₁₈H₉F₁₂O₂P
• Molecular Weight: 516.223
• NSC Number: 354409
• DSSTox Substance ID: DTXSID80422660
• Nikkaji Number: J903.307F
• Wikidata: Q82234631
• Mol file: 77121-88-1.mol

Synonyms:77121-88-1;NSC354409;DTXSID80422660;NSC-354409;3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxaphosphol-1-ium];Bis[2,1-phenylene[[bis(trifluoromethyl)methylene]oxy]]phosphorane;1.lambda.5-1,1'(3H,3'H)-Spirobi[2,1-benzoxaphosphole], 3,3,3',3'-tetrakis(trifluoromethyl)-

Chemical Property of 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxaphosphol-1-ium]

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 0
• Exact Mass: 515.0070294
• Heavy Atom Count: 33
• Complexity: 678

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(O[P+]23C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F