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3-(Trifluoromethoxy)benzoic acid

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3-(Trifluoromethoxy)benzoic acid Basic information

Product Name:
3-(Trifluoromethoxy)benzoic acid
Synonyms:
  • Benzoic acid, 3-(trifluoromethoxy)-
  • 3-(TRIFLUOROMETHOXY)BENZOIC ACID
  • ALPHA,ALPHA,ALPHA-TRIFLUORO-M-ANISIC ACID
  • 3-(Trifluoromethoxy)benzoic acid 97%
  • RARECHEM AL BO 0437
  • M-(TRIFLUOROMETHOXY)BENZOIC ACID
  • TIMTEC-BB SBB006595
  • Inter-Trifluoroxide Benzoic Acids
CAS:
1014-81-9
MF:
C8H5F3O3
MW:
206.12
EINECS:
213-802-2
Product Categories:
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • C8
  • Carbonyl Compounds
  • Carboxylic Acids
Mol File:
1014-81-9.mol
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3-(Trifluoromethoxy)benzoic acid Chemical Properties

Melting point:
89-92 °C (lit.)
Boiling point:
203°C (rough estimate)
Density 
1.4251 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
soluble in Methanol
pka
3.82±0.10(Predicted)
form 
Powder
color 
White
BRN 
2579574
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKey
OKPFIWIMBJNFSE-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC=CC(OC(F)(F)F)=C1
CAS DataBase Reference
1014-81-9(CAS DataBase Reference)
NIST Chemistry Reference
M-trifluoromethoxybenzoic acid(1014-81-9)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38-R36/37/38
Safety Statements 
26-36-37/39-S37/39-S26
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29189900

MSDS

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3-(Trifluoromethoxy)benzoic acid Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

General Description

Kinetics of internal acyl migration and hydrolysis of the synthetic β-1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluoromethyl)benzoic acids in phosphate buffer was studied.

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