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454-92-2

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Identification

Name
3-(Trifluoromethyl)benzoic acid
CAS
454-92-2
Synonyms
3-CARBOXYBENZOTRIFLUORIDE
3-(TRIFLUOROMETHYL)BENZOIC ACID
A,A,A-TRIFLUORO-M-TOLUIC ACID
ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIC ACID
M-CARBOXYBENZOTRIFLUORIDE
MTF-BOA
M-TRIFLUOROMETHYLBENZOIC ACID
RARECHEM AL BO 0047
TIMTEC-BB SBB003661
,,-Trifluoro-m-toluicacid
Benzoic acid, 3-(trifluoromethyl)-
Benzoic acid, trifluoromethyl-
m-Toluic acid, alpha,alpha,alpha-trifluoro-
m-Trifluorometylbenzoic acid
3-Trifluoromethybenzoic Acid
3-Trifluoromethylbenzoic
à,à,à-trifluoro-m-toluic acid
3-(Trifluoromethyl)benzoic acid 98%
3-(Trifluoromethyl)benzoicacid98%
3-trifluoromethylbenzoate
EINECS(EC#)
207-230-2
Molecular Formula
C8H5F3O2
MDL Number
MFCD00002519
Molecular Weight
190.12
MOL File
454-92-2.mol

Chemical Properties

Appearance
White to light yellow crystal powde
Melting point 
104-106 °C(lit.)

mp 
104-106 °C(lit.)

Boiling point 
238.5 °C775 mm Hg(lit.)

bp 
238.5 °C775 mm Hg(lit.)

density 
1.3173 (estimate)
Fp 
237-240°C
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
pka
3.77±0.10(Predicted)
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)

Safety Data

Hazard Codes 
Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
WGK Germany 
3

Hazard Note 
Irritant
HazardClass 
IRRITANT
HS Code 
29163900

Raw materials And Preparation Products

Material Safety Data Sheet(MSDS)

Hazard Information

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.

Spectrum Detail

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