Home Fluorides 349-58-6
349-58-6,MFCD00000386
Catalog No.:AA003IHE
349-58-6 | 3,5-Bis(trifluoromethyl)phenol
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Purity
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1g
98%(GC)
in stock  
$46.00   $32.00
- +
25g
98%
in stock  
$58.00   $40.00
- +
100g
98%
in stock  
$215.00   $150.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IHE
Chemical Name:
3,5-Bis(trifluoromethyl)phenol
CAS Number:
349-58-6
Molecular Formula:
C8H4F6O
Molecular Weight:
230.1072
MDL Number:
MFCD00000386
IUPAC Name:
3,5-bis(trifluoromethyl)phenol
InChI:
InChI=1S/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H
InChI Key:
ODSXJQYJADZFJX-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F
EC Number:
206-488-3
NSC Number:
88299
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.017g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.109g/mol
Monoisotopic Mass:
230.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
3,5-Bis(trifluoromethyl)phenol 
349-58-6 
NSC88299 
EINECS 206-488-3 
PubChem12483 
MBT-OH 
ACMC-1CLSR 
Enamine_005457 
AI3-62905 
AC1Q4JJE 
AC1Q78II 
NCIOpen2_005306 
Phenol, 3,5-bis(trifluoromethyl)- 
KSC497M4R 
SCHEMBL186842 
3 5-bis(trifluoromethyl)phenol 
Jsp006315 
CHEMBL1797960 
3,5-bis(trifluoromethyl)-phenol 
CTK3J7648 
KS-00000FDV 
ODSXJQYJADZFJX-UHFFFAOYSA- 
TIMTEC-BB SBB006599 
3,5-di(Trifluoromethyl)phenol 
3,5-Bis(trifluoromethyl) phenol 
DTXSID60188454 
HMS1409I01 
ZINC164553 
AC1L2835 
ACT00786 
ANW-28032 
NSC-88299 
SBB006599 
AKOS001044515 
3,5-bis-trifluoromethylphenol 
3,5-Bis(trifluoromethyl)phenol, 95% 
AM61506 
AS06952 
CB-2750 
MCULE-1749051801 
PF10640 
PS-7725 
RTR-014437 
TRA0068095 
AJ-16208 
MFCD00000386 
AK-86402 
AN-44450 
CJ-02168 
SC-75665 
ZB008198 
AB0011682 
ST2404611 
TR-014437 
FT-0614469 
ST45255437 
3,5-ditrifluoromethylphenol 
EN300-17180 
C-4531 
I01-2544 
W-106698 
Z56899043 
3,5-Xylenol, aplha,aplha,aplha,aplha',aplha',aplha'-hexafluoro- 
InChI=1/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H 
3,5-Bis phenol 
C8H4F6O 
C8-H4-F6-O 
3,5-bis-(trifluoromethyl)phenol 
CID67680 
AR-1E9466 
ACN-055976 
B1869 
D1159 
3,5-Bis(trifluoromethyl)phenol, 97% - 1G 1g 
1066-26-8 
360-34-9 
alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylenol 
ODSXJQYJADZFJX-UHFFFAOYSA-N 
Literature

Title: Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Journal: European journal of medicinal chemistry 20110501

Title: [Medium optimization for enhanced production of carbonyl reductase by Candida tropicalis 104 by response surface methodology].

Journal: Sheng wu gong cheng xue bao = Chinese journal of biotechnology 20090601

Title: Association of tris(pentane-2,4-dionato)chromium(III) with modifiers of hydrogen-bond donors in supercritical carbon dioxide.

Journal: Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20061101

Title: Kinetic study of the oxidation of phenolic derivatives of alpha,alpha,alpha-trifluorotoluene by singlet molecular oxygen [O2(1delta(g)) and hydrogen phosphate radicals.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20030801

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