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141179-72-8

141179-72-8 Structure

141179-72-8 Structure
IdentificationMore
[Name]

4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID
[CAS]

141179-72-8
[Synonyms]

4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID
ALPHA,ALPHA,ALPHA,4-TETRAFLUORO-O-TOLUIC ACID
RARECHEM AL BO 0635
TIMTEC-BB SBB006651
à,à,à,4-tetrafluoro-o-toluic acid
4-Fluoro-2-(trifluoromethyl)benzoic acid 98%
4-Fluoro-2-(trifluoromethyl)benzoicacid98%
[EINECS(EC#)]

256-495-9
[Molecular Formula]

C8H4F4O2
[MDL Number]

MFCD00040982
[Molecular Weight]

208.11
[MOL File]

141179-72-8.mol
Chemical PropertiesBack Directory
[Appearance]

slightly yellow needle-like crystalline powder
[Melting point ]

121-124 °C (lit.)
[Boiling point ]

239.0±40.0 °C(Predicted)
[density ]

1.4412 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Needle-Like Crystalline Powder
[pka]

3.17±0.36(Predicted)
[color ]

Slightly yellow
[InChI]

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

JUHPDXOIGLHXTC-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(F)C=C1C(F)(F)F
[CAS DataBase Reference]

141179-72-8(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]

slightly yellow needle-like crystalline powder
[Uses]

4-Fluoro-2-(trifluoromethyl)benzoic acid is a substituted benzoic acid derivative. Molecular orbital and empirical methods have been utilized to determine its computed steric and electronic properties.
[General Description]

4-Fluoro-2-(trifluoromethyl)benzoic acid is a substituted benzoic acid derivative. Molecular orbital and empirical methods have been utilized to determine its computed steric and electronic properties.
[Synthesis]

Magnesium powder and a small pellet of iodine were added to the reaction flask, which was dried at high temperature, and the reaction system was then nitrogen-protected (air in the reaction system was replaced with nitrogen) through a double-row tube. Anh
Spectrum DetailBack Directory
[Spectrum Detail]

4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID(141179-72-8)1HNMR
4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID(141179-72-8)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluoro-2(trifluoromethyl)benzoic acid, 98%(141179-72-8)
[Alfa Aesar]

4-Fluoro-2-(trifluoromethyl)benzoic acid, 99%(141179-72-8)
[Sigma Aldrich]

141179-72-8(sigmaaldrich)
[TCI AMERICA]

4-Fluoro-2-(trifluoromethyl)benzoic Acid,>97.0%(GC)(T)(141179-72-8)
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