Home Fluorides 725-89-3
725-89-3,MFCD00000388
Catalog No.:AA003IH7
725-89-3 | 3,5-Bis(trifluoromethyl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$15.00   $10.00
- +
25g
98%
in stock  
$36.00   $25.00
- +
100g
95%
in stock  
$74.00   $52.00
- +
500g
95%
in stock  
$225.00   $158.00
- +
  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA003IH7
Chemical Name:
3,5-Bis(trifluoromethyl)benzoic acid
CAS Number:
725-89-3
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.1173
MDL Number:
MFCD00000388
IUPAC Name:
3,5-bis(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
InChI Key:
HVFQJWGYVXKLTE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
EC Number:
211-970-1
NSC Number:
88282
Properties
Computed Properties
 
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.119g/mol
Monoisotopic Mass:
258.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Synonyms
 
3,5-Bis(trifluoromethyl)benzoic acid 
725-89-3 
HVFQJWGYVXKLTE-UHFFFAOYSA-N 
3,5-bis-trifluoromethyl-benzoic acid 
MFCD00000388 
3,5-bis-(trifluoromethyl)benzoic acid 
NSC88282 
3.5-Bis(trifluoromethyl)benzoic acid 
PubChem2725 
ACMC-209ono 
Maybridge1_003411 
AC1L20KW 
3,5-di(Trifluoromethyl)benzoic acid 
AC1Q72SU 
KSC377E8D 
SCHEMBL503980 
RARECHEM AL BO 0001 
CHEMBL3728871 
CTK2H7281 
HMS551D01 
HVFQJWGYVXKLTE-UHFFFAOYSA- 
KS-00000UMA 
TIMTEC-BB SBB000963 
BENZOIC ACID, 3,5-BIS(TRIFLUOROMETHYL)- 
DTXSID20222808 
OTAVA-BB 1051752 
3,5-bistrifluoromethylbenzoic acid 
WT269 
ZINC120054 
ACT04237 
3,5-Bis(trifluoromethyl)benzoicacid 
ANW-36226 
FC0949 
NSC-88282 
Bis(3,5-trifluoromethyl)benzoic acid 
SBB000963 
3,5-bis trifluoro methyl benzoic acid 
3,5-bis(-trifluoromethyl)benzoic acid 
3,5-bis(trifluoromethyl)-benzoic acid 
AKOS000120436 
3,5-Di-(trifluoromethyl) benzoic acid 
AB00127 
AC-3901 
AM61649 
AS00865 
MBT-BOA 
CB-1365 
CCG-240220 
LS10405 
MCULE-4638491561 
PF10966 
PS-7386 
RL03050 
RTC-062123 
TRA0078644 
VF10068 
EINECS 211-970-1 
3,5-bis-(trifluoromethyl)-benzoic acid 
AJ-11654 
AN-12526 
K237 
LS-36193 
SC-06534 
ST057539 
SY016218 
AB0014114 
AB1005436 
NSC 88282 
DB-055654 
TC-062123 
TL8005071 
3,5-Bis(trifluoromethyl)benzoic acid, 98% 
FT-0614456 
ST24028198 
AZ0001-0302 
MFCD00000388 (98%) 
25B893 
M-1526 
3,5-bis(trifluoromethyl) benzoic acid 
725-89-3 3,5-bis(trifluoromethyl)benzoic acid 
I01-1403 
J-511237 
W-104483 
F0001-1846 
InChI=1/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17) 
null 
C9H4F6O2 
C9-H4-F6-O2 
CID12889 
BRN 2058600 
B1420 
D1141 
A16100 
3,5-Bis(trifluoromethyl)benzoic acid, 98% - 100G 100g 
Literature

Title: Application of (1)H- and (19)F-NMR spectroscopy in the investigation of the urinary and biliary excretion of 3,5-, 2,4-ditrifluoromethylbenzoic and pentafluorobenzoic acids in rat.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20020701

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