Home Fluorides 98-17-9
98-17-9,MFCD00002299
Catalog No.:AA003I88
98-17-9 | 3-Trifluoromethylphenol
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5g
98%
in stock  
$15.00   $10.00
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25g
98%
in stock  
$22.00   $15.00
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100g
98%
in stock  
$58.00   $40.00
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500g
98%
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$215.00   $150.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003I88
Chemical Name:
3-Trifluoromethylphenol
CAS Number:
98-17-9
Molecular Formula:
C7H5F3O
Molecular Weight:
162.1092
MDL Number:
MFCD00002299
IUPAC Name:
3-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChI Key:
UGEJOEBBMPOJMT-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(F)(F)F
EC Number:
202-645-5
NSC Number:
9884
Properties
Computed Properties
 
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.029g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.111g/mol
Monoisotopic Mass:
162.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3-trifluoromethylphenol 
alpha,alpha,alpha-trifluoro-m-cresol 
alpha,alpha,alpha-Trifluoro-m-cresol 
AR-1J6922 
m-Cresol,.alpha.,.alpha.-trifluoro- 
T0436 
3-(Trifluoromethyl)phenol, 98% - 100G 100g 
5466-07-9 
a,a,a-trifluoro-m-cresol 
phenol, 3-(trifluoromethyl) 
3-trifluoromethyl phenol 
3-Trifluoromethyl-phenol 
NSC 9884 
EINECS 202-645-5 
MFCD00002299 
3-(trifluoromethyl) phenol 
5-TRIFLUOROMETHYLPHENOL 
3-(Trifluoromethyl)phenol 
3-Hydroxy-alpha,alpha,alpha-trifluorotoluene 
UGEJOEBBMPOJMT-UHFFFAOYSA-N 
m-CRESOL, alpha,alpha,alpha-TRIFLUORO- 
m-Cresol, .alpha.,.alpha.,.alpha.-trifluoro- 
alpha,alpha,alpha-Trifluoro-m-cresol, 98+% 
PubChem5441 
3-trifluoromethylplienol 
m-trifluoromethyl-phenol 
meta-trifluoromethylphenol 
AC1L1OMD 
98-17-9 
3-hydroxy benzotrifluoride 
3-hydroxy-benzotrifluoride 
m-CF3C6H4OH 
meta-trifluoromethyl phenol 
ACMC-209s9s 
EC 202-645-5 
AC1Q4JN0 
AC1Q78IT 
SCHEMBL40389 
KSC235A7N 
3-Trifluoromethylphenol 
CHEMBL57877 
ALPHA,A,A-Trifluoro-m-cresol 
DTXSID7052658 
TIMTEC-BB SBB008329 
NSC9884 
3-(Trifluoromethyl)phenol, 99% 
BDBM108237 
ZINC164582 
3-(1,1,1-trifluoromethyl)phenol 
NSC-9884 
3-Hydroxybenzotrifluoride 
.alpha.,.alpha.-Trifluoro-m-cresol 
ANW-40910 
BBL009723 
SBB008329 
STL141088 
alpha,alpha,alpha,-trifluoro-m-cresol 
AKOS000119745 
AF10083 
alpha, alpha, alpha-trifluoro-m-cresol 
AS00196 
m-trifluoromethylphenol 
CM11809 
CS-W010869 
FR-1237 
MCULE-4960314711 
PS-8757 
RP22475 
RTC-010861 
AC-10892 
AJ-16221 
AK-44156 
m-Hydroxybenzotrifluoride 
LS-55448 
M‐trifluoromethylphenol (Hit 5) 
SC-07492 
TL806235 
ZB008210 
DB-028582 
TC-010861 
.alpha.,.alpha.,.alpha.-Trifluoro-m-cresol 
AM20050022 
FT-0628939 
Phenol, 3-(trifluoromethyl)- 
ST24032577 
ST50406721 
B-1279 
47726-EP2298750A1 
47726-EP2311811A1 
182297-EP2269977A2 
182297-EP2274983A1 
I01-0891 
W-100090 
F0001-2315 
m-(Trifluoromethyl)phenol 
Z1262253018 
InChI=1/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11 
1-TRIFLUOROMETHYL,3-HYDROXY-BENZENE (3-HYDROXI-TOLUENE,ALPHA,ALPHA,ALPHA-TRIFLUORO) 
m-Hydroxybenzotrifluoride ; 3-Hydroxybenzotrifluoride ; 3-(Trifluoromethyl)phenol ; alpha,alpha,alpha-Trifluoro-m-cresol 
trifluoro-m-cresol 
C7H5F3O 
CID7376 
C7-H5-F3-O 
ACN-S002291 
alpha-alpha-alpha-trifluor-m-cresol 
Literature

Title: Infrared-optical double resonance spectroscopic investigation of trifluoromethylphenols and their water complexes.

Journal: The journal of physical chemistry. A 20120705

Title: Does activation of the anti proton, rather than concertedness, determine the stereochemistry of base-catalyzed 1,2-elimination reactions? Anti stereospecificity in E1cB eliminations of β-3-trifluoromethylphenoxy esters, thioesters, and ketones.

Journal: The Journal of organic chemistry 20120316

Title: Callus cultures for phytometabolism studies: phytometabolites of 3-trifluoromethylphenol in Lemnaceae plants and callus cultures.

Journal: International journal of phytoremediation 20110801

Title: Development and application of oxygen production rate assessment to uptake of fluorinated organics by Lemna minor.

Journal: Environmental toxicology and 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

Title: Determination of travoprost and travoprost free acid in human plasma by electrospray HPLC/MS/MS.

Journal: Journal of pharmaceutical and biomedical analysis 20020415

Title: Use of selective inhibitors and chromogenic substrates to differentiate bacteria based on toluene oxygenase activity.

Journal: Journal of microbiological methods 20010901

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