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67515-55-3

67515-55-3 Structure

67515-55-3 Structure
IdentificationMore
[Name]

4-Fluoro-3-(trifluoromethyl)benzoic acid
[CAS]

67515-55-3
[Synonyms]

4-FLUORO-3-(TRIFLUOROMETHYL)BENZOIC ACID
ALPHA,ALPHA,ALPHA,4-TETRAFLUORO-M-TOLUIC ACID
BUTTPARK 29\01-67
RARECHEM AL BO 0636
4-Fluoro-3-trifluoromethylbenz
à,à,à,4-tetrafluoro-m-toluic acid
4-Fluoro-3-(trifluoromethyl)benzoic acid 98%
4-Fluoro-3-(trifluoromethyl)benzoicacid98%
[Molecular Formula]

C8H4F4O2
[MDL Number]

MFCD00061294
[Molecular Weight]

208.11
[MOL File]

67515-55-3.mol
Chemical PropertiesBack Directory
[Melting point ]

114-116 °C (lit.)
[Boiling point ]

256.9±40.0 °C(Predicted)
[density ]

1.489±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

3.71±0.10(Predicted)
[color ]

White to Almost white
[BRN ]

1968716
[InChI]

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

WZBPZYCJUADXRS-UHFFFAOYSA-N
[SMILES]

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

67515-55-3(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Fluoro-3-(trifluomethyl)benzoic acid(67515-55-3)
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 .
S37/39:Wear suitable gloves and eye/face protection .
[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 powder
[Uses]

In the field of chemical synthesis, 4-fluoro-3-(trifluoromethyl)benzoic acid is often used as a synthetic intermediate for the preparation of organometallic complexes and active pharmaceutical ingredients (APIs).
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluoro-3-(trifluoromethyl)benzoic acid(67515-55-3)1HNMR
4-Fluoro-3-(trifluoromethyl)benzoic acid(67515-55-3)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Fluoro-3-(trifluoromethyl)benzoic acid, 98%(67515-55-3)
[Sigma Aldrich]

67515-55-3(sigmaaldrich)
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