Home Categories Chemical Reagents 3,5-Bis(trifluoromethyl)benzoic Acid
A1335012

3,5-Bis(trifluoromethyl)benzoic Acid , 98% , 725-89-3

CAS NO.:725-89-3

Empirical Formula: C9H4F6O2

Molecular Weight: 258.12

MDL number: MFCD00000388

EINECS: 211-970-1

Pack Size Price Stock Quantity
5G RMB49.60 In Stock
10g RMB83.20 In Stock
25G RMB126.40 In Stock
100G RMB415.20 In Stock
500g RMB1999.20 In Stock
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Update time: 2022-07-08

PRODUCT Properties

Melting point: 142-143 °C(lit.)
Boiling point: 223.9±40.0 °C(Predicted)
Density  1,42 g/cm3
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO, Methanol
pka 3.34±0.10(Predicted)
form  Solid
color  White to Off-White
Water Solubility  Slightly soluble in water.
BRN  2058600
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)
InChIKey HVFQJWGYVXKLTE-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

Description and Uses

3,5-Bis(trifluoromethyl)benzoic acid is a useful synthetic intermediate, and is a derivative of Benzoic acid (B203900). 3,5-Bis(trifluoromethyl)benzoic acid has also been identified as a major metabolite of a series of 3,5-bis(trifluoromethyl)benzyl ethers in vitro, and is hypothesized to result via oxidation of the benzylic position.

Safety

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
RTECS  DG4448020
HazardClass  IRRITANT
HS Code  29163990

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