ChemicalBook--->CAS DataBase List--->455-24-3

455-24-3

455-24-3 Structure

455-24-3 Structure
IdentificationMore
[Name]

4-(Trifluoromethyl)benzoic acid
[CAS]

455-24-3
[Synonyms]

4-CARBOXYBENZOTRIFLUORIDE
4-(TRIFLUOROMETHYL)BENZOIC ACID
A,A,A-TRIFLUORO-P-TOLUIC ACID
ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUIC ACID
P-CARBOXYBENZOTRIFLUORIDE
PTF-BOA
P-TRIFLUOROMETHYLBENZOIC ACID
RARECHEM AL BO 0066
TIMTEC-BB SBB008571
4-(trifluoromethyl)-benzoicaci
Benzoic acid, 4-(trifluoromethyl)-
p-Trifluoromethylbenzoic Acid 4-Trifluoromethylbenzoic Acid
p-Trifluoromethylbenzoic
p-Trifluoromethylbenzoicacid,min.98%
à,à,à-trifluoro-p-toluic acid
α,α,α-trifluoro-p-toluic acid
4-(Trifluoromethyl)benzoicacid98%
4-TRIFLUOROMETHYL BENZOIC ACID FINE GRADE
4-TRIFLUOROMETHYL BENZOIC ACID TECHNICAL GRADE
α,α,α-Trifluoro-p-toluic acid, 4-Carboxybenzotrifluoride
[EINECS(EC#)]

207-242-8
[Molecular Formula]

C8H5F3O2
[MDL Number]

MFCD00002562
[Molecular Weight]

190.12
[MOL File]

455-24-3.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powde
[Melting point ]

219-220 °C(lit.)
[Boiling point ]

247°C 753mm
[density ]

1.3173 (estimate)
[Fp ]

247°C/753mm
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Fine Crystalline Powder
[pka]

3.69±0.10(Predicted)
[color ]

White to slight gray
[Water Solubility ]

Soluble in water.
[Detection Methods]

GC,NMR
[BRN ]

2049241
[InChI]

InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
[InChIKey]

SWKPKONEIZGROQ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(C(F)(F)F)C=C1
[CAS DataBase Reference]

455-24-3(CAS DataBase Reference)
[NIST Chemistry Reference]

«ALPHA»,«alpha»,«alpha»-trifluoro-p-toluic acid(455-24-3)
[EPA Substance Registry System]

455-24-3(EPA Substance)
Questions And AnswerBack Directory
[Uses]

4-(Trifluoromethyl)benzaldehyde is a reactant that has been used in the preparation of N,N'-(Arylmethylene)bisamides with cytotoxic activity as anti cancer agents.
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 .
S36/37:Wear suitable protective clothing and gloves .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Methylbenzotrifluoride-->5,5-Dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane-->trimethyl(4-(trifluoromethyl)phenyl)silane-->4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER-->4-Bromobenzotrifluoride-->4-(Trifluoromethyl)benzyl alcohol-->4-Chlorobenzotrifluoride
[Preparation Products]

4-(TRIFLUOROMETHYL)PHENYL ISOCYANATE-->alpha,alpha,alpha-Trifluoro-o-toluoyl chloride-->4-Trifluoromethylsalicylic acid-->4'-(TRIFLUOROMETHYL)PROPIOPHENONE-->2-AMINO-4-(TRIFLUOROMETHYL)BENZOIC ACID-->N-(4-Methoxybenzyl)-4-(trifluoroMethyl)benzaMide, 97%
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Carboxybenzotrifluoride(455-24-3).msds
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powde
[Definition]

ChEBI: A benzoic acid carrying a 4-trifluoromethyl substituent.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Trifluoromethyl)benzoic acid(455-24-3)MS
4-(Trifluoromethyl)benzoic acid(455-24-3)1HNMR
4-(Trifluoromethyl)benzoic acid(455-24-3)13CNMR
4-(Trifluoromethyl)benzoic acid(455-24-3)IR1
4-(Trifluoromethyl)benzoic acid(455-24-3)IR2
4-(Trifluoromethyl)benzoic acid(455-24-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha,alpha,alpha-Trifluoro-p-toluic acid, 98%(455-24-3)
[Alfa Aesar]

4-(Trifluoromethyl)benzoic acid, 98+%(455-24-3)
[Sigma Aldrich]

455-24-3(sigmaaldrich)
[TCI AMERICA]

4-(Trifluoromethyl)benzoic Acid,>98.0%(T)(455-24-3)
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