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3-(Trifluoromethyl)benzoic acid

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3-(Trifluoromethyl)benzoic acid Basic information

Product Name:
3-(Trifluoromethyl)benzoic acid
Synonyms:
  • m-Trifluoromethylbenzoic acid,alpha,alpha,alpha-Trifluoro-m-toluic acid
  • 3-trifluoromethylbenzoate
  • m-benzoic Acid
  • m-Toluic acid, alpha,alpha,alpha-trifluoro-
  • m-Trifluorometylbenzoic acid
  • A,A,A-TRIFLUORO-M-TOLUIC ACID
  • ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIC ACID
  • 3-CARBOXYBENZOTRIFLUORIDE
CAS:
454-92-2
MF:
C8H5F3O2
MW:
190.12
EINECS:
207-230-2
Product Categories:
  • Building Blocks
  • C8
  • Carbonyl Compounds
  • Carboxylic Acids
  • Chemical Synthesis
  • Organic Building Blocks
  • blocks
  • Carboxes
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • Benzene series
  • Benzotrifluoride Series
Mol File:
454-92-2.mol
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3-(Trifluoromethyl)benzoic acid Chemical Properties

Melting point:
104-106 °C(lit.)
Boiling point:
238.5 °C775 mm Hg(lit.)
Density 
1.3173 (estimate)
Flash point:
237-240°C
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
pka
3.77±0.10(Predicted)
form 
powder to crystal
color 
White
BRN 
2049239
InChIKey
FQXQBFUUVCDIRK-UHFFFAOYSA-N
CAS DataBase Reference
454-92-2(CAS DataBase Reference)
NIST Chemistry Reference
3-(Trifluoromethyl)benzoic acid(454-92-2)
EPA Substance Registry System
Benzoic acid, 3-(trifluoromethyl)- (454-92-2)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-24/25
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29163900

MSDS

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3-(Trifluoromethyl)benzoic acid Usage And Synthesis

Chemical Properties

White to light yellow crystal powde

Definition

ChEBI: A benzoic acid carrying a trifluoromethyl substituent at the 3-position.

General Description

pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide.

3-(Trifluoromethyl)benzoic acid Preparation Products And Raw materials

Preparation Products

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