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Chemical Structure| 1109-15-5 Chemical Structure| 1109-15-5
Chemical Structure| 1109-15-5

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Product Details of Tris(perfluorophenyl)borane

CAS No. :1109-15-5
Formula : C18BF15
M.W : 511.98
SMILES Code : FC1=C(F)C(F)=C(F)C(F)=C1B(C2=C(F)C(F)=C(F)C(F)=C2F)C3=C(F)C(F)=C(F)C(F)=C3F
MDL No. :MFCD00269813
InChI Key :OBAJXDYVZBHCGT-UHFFFAOYSA-N
Pubchem ID :582056

Safety of Tris(perfluorophenyl)borane

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of Tris(perfluorophenyl)borane

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1109-15-5 ]

[ 1109-15-5 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 1109-15-5 ]
  • [ 224311-51-7 ]
  • [ 274-07-7 ]
  • [(C6H4O2)BPt-Bu2(2-C6H4-Ph)][HB(C6F5)3] [ No CAS ]
  • 2
  • [ 97239-80-0 ]
  • [ 1109-15-5 ]
  • [ 1144038-61-8 ]
  • 3
  • [ 33421-36-2 ]
  • [ 1109-15-5 ]
  • 2-(2-pyridinium)phenolyl tris(pentafluorophenyl)borate [ No CAS ]
  • 4
  • [ 1109-15-5 ]
  • [ 22034-13-5 ]
  • [ 1176202-74-6 ]
YieldReaction ConditionsOperation in experiment
85% In dichloromethane; at 20℃; for 0.5h; To a clear solution of B(C6F5)3 (0.050 g, 0.098 mmol) in CH2Cl2 (5 mL) was added a colorless solution of <strong>[22034-13-5]4-bromo-benzo[2,1,3]thiadiazole</strong> (0.021 mg, 0.098 mmol) in CH2Cl2 (5 mL). The resulting yellow solution was allowed to stir for 30 minutes at room temperature. The solvent was removed in vacuo and the resulting solid washed with pentanes (2.x.10 mL) and dried under vacuum for 1 hour. The product was collected as a faint yellow solid. Recovered yield, 60 mg (85percent). Crystal's suitable for X-ray diffraction were grown via slow diffusion of pentane into a concentrated solution of 4 in CH2Cl2. Upon addition of excess B(C6F5)3 (3 equivalents total) to 4, no change in the 1H or 19F spectrum was observed from 25 to -50° C. 1H NMR (CD2Cl2): delta 8.02 (d, 3JH-H=8 Hz, 1H, benzothiadiazole-p-CH), 7.71 (dd, 3JH-H=8 Hz, 3JH-H=8 Hz, 1H, benzothiadiazole-m-CH), 7.50 (d, 3JH-H=8 Hz, 1H, benzothiadiazole-o-CH). {1H} NMR (CD2Cl2): delta -5.5 (bs). 13C{1H} NMR (CD2Cl2, -50° C.) partial: 152.79, (s, quaternary), 149.22 (s, quaternary), 148.90 (dm, 1JC-F=250 Hz, CF), 148.22 (dm, 1JC-F=250 Hz, CF), 146.55 (dm, 1JC-F=245 Hz, CF), 141.73 (dm, 1JC-F=245 Hz, CF), 140.85 (dm, 1JC-F=250 Hz, CF), 138.99 (dm, 1JC-F=240 Hz, CF), 137.05 (dm, 1JC-F=245 Hz, CF), 136.74 (s, benzothiadiazole-m-CH), 134.01 (s, benzothiadiazole-p-CH), 131.90 (dm, 1JC-F=250 Hz, CF), 117.22 (quaternary), 116.05 (s, benzothiadiazole-o-CH). 19F NMR (CD2Cl2): delta -125.2 (br, 1F, ortho-C6F5), -131.0 (br, 3F, ortho-C6F5), -135.2 (br, 1F, ortho-C6F5), -137.2 (br, 1F, ortho-C6F5), -154.5 (s, 1F, para-C6F5), -156.5 (br, 2F, para-C6F5), -161.6 (br, 2F, meta-C6F5), 163.8 (br, 4F, meta-C6F5). 19F NMR (CD2Cl2, -50° C.): delta -125.17 (m, 1F, 3JF-F=22 Hz, ortho-C6F5), -130.58 (m, 1F, 3JF-F=21 Hz, ortho-C6F5), -131.42 (m, 2F, 3JF-F=24 Hz, ortho-C6F5), -134.13 (m, 1F, 3JF-F=24 Hz, ortho-C6F5), -137.58 (m, 1F, 3JF-F=24 Hz, ortho-C6F5), -153.99 (m, 1F, 3JF-F=20 Hz, para-C6F5), -155.31 (m, 1F, 3JF-F=20 Hz, para-C6F5), -157.27 (m, 1F, 3JF-F=22 Hz, para-C6F5), -161.28 (m, 1F, 3JF-F=20 Hz, meta-C6F5), -162.91 (m, 1F, 3JF-F=20 Hz, meta-C6F5), -162.74 (m, 1F, 3JF-F=20 Hz, meta-C6F5), -163.33 (m, 1F, 3JF-F=20 Hz, meta-C6F5), -163.77 (m, 1F, 3JF-F=22 Hz, meta-C6F5), -164.03 (m, 1F, 3JF-F=22 Hz, meta-C6F5). UV-vis: lambdamax=355 nm. X-Ray: C24H3B1Br1F15N2S1. Space Group=P-1. Cell: a=10.82(15) , b=11.82(18) , c=12.36(18) , alpha=63.7(3)°, beta=75.1(3)°, gamma=84.1(4)°, V=1369(35) 3. R=0.0432percent, Rw=0.1132percent. GOF=1.027.
  • 5
  • [ 2488-01-9 ]
  • [ 1109-15-5 ]
  • [ 3376-52-1 ]
  • C6H4(Si(CH3)2PH(C6H5)B(C6F5)3)2 [ No CAS ]
  • 6
  • [ 4107-98-6 ]
  • [ 1109-15-5 ]
  • [ 1333-74-0 ]
  • [ 1357519-28-8 ]
  • 7
  • [ 4107-98-6 ]
  • [ 1109-15-5 ]
  • [ 1357519-28-8 ]
 

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