ChemicalBook--->CAS DataBase List--->115754-21-7

115754-21-7

115754-21-7 Structure

115754-21-7 Structure
IdentificationMore
[Name]

3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
[CAS]

115754-21-7
[Synonyms]

3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
RARECHEM AL BO 0852
3-Fluoro-4-(trifluoromethyl)benzoic acid, 97+%
à,à,à,3-tetrafluoro-p-toluic acid
3-Fluoro-4-(trifluoromethyl)benzoic acid 98%
3-Fluoro-4-(trifluoromethyl)benzoicacid98%
[EINECS(EC#)]

624-783-9
[Molecular Formula]

C8H4F4O2
[MDL Number]

MFCD00236279
[Molecular Weight]

208.11
[MOL File]

115754-21-7.mol
Chemical PropertiesBack Directory
[Appearance]

White to off-white crystalline powder
[Melting point ]

174-179 °C (lit.)
[Boiling point ]

251℃
[density ]

1.489
[Fp ]

106℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.35±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)
[InChIKey]

HRIHSNPFVGMAKX-UHFFFAOYSA-N
[SMILES]

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

115754-21-7(CAS DataBase Reference)
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 .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White to off-white crystalline powder
[Uses]

3-Fluoro-4-(trifluoromethyl)benzoic acid serves as a crucial building block in the synthesis of potassium channel openers used for the treatment of epilepsy. The potassium channel openers are synthesised by condensation reactions involving 3-fluoro-4-(trifluoromethyl)benzoic acid and aminopyridine.
Spectrum DetailBack Directory
[Spectrum Detail]

3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID(115754-21-7)1HNMR
3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID(115754-21-7)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Fluoro-4-(trifluoromethyl)benzoic acid(115754-21-7)
[Alfa Aesar]

3-Fluoro-4-(trifluoromethyl)benzoic acid, 97+%(115754-21-7)
[Sigma Aldrich]

115754-21-7(sigmaaldrich)
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