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ChemicalBook--->CAS DataBase List--->454-92-2

454-92-2

454-92-2 Structure

454-92-2 Structure
IdentificationMore
[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 PropertiesBack Directory
[Appearance]

White to light yellow crystal powde
[Melting point ]

104-106 °C(lit.)
[Boiling point ]

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
[form ]

powder to crystal
[pka]

3.77±0.10(Predicted)
[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)
Safety DataBack Directory
[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 ProductsBack Directory
[Preparation Products]

3-METHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]-5-ISOXAZOLAMINE-->3-FLUORO-5-(TRIFLUOROMETHYL)BENZALDEHYDE-->3-(TRIFLUOROMETHYL)PHENETHYLAMINE-->3-(Trifluoromethyl)benzoyl chloride-->3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER-->METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE-->3'-(TRIFLUOROMETHYL)PROPIOPHENONE-->1-Pentanone, 1-[3-(trifluoromethyl)phenyl]-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-(Trifluoromethyl)benzoic acid(454-92-2).msds
Hazard InformationBack Directory
[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 DetailBack Directory
[Spectrum Detail]

3-(Trifluoromethyl)benzoic acid(454-92-2)MS
3-(Trifluoromethyl)benzoic acid(454-92-2)1HNMR
3-(Trifluoromethyl)benzoic acid(454-92-2)13CNMR
3-(Trifluoromethyl)benzoic acid(454-92-2)IR1
3-(Trifluoromethyl)benzoic acid(454-92-2)IR2
3-(Trifluoromethyl)benzoic acid(454-92-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha,alpha,alpha-Trifluoro-m-toluic acid, 99%(454-92-2)
[Alfa Aesar]

3-(Trifluoromethyl)benzoic acid, 98+%(454-92-2)
[Sigma Aldrich]

454-92-2(sigmaaldrich)
[TCI AMERICA]

3-(Trifluoromethyl)benzoic Acid,>98.0%(GC)(T)(454-92-2)
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