| Identification | More | [Name]
3-Fluoro-5-(trifluoromethyl)benzoic acid | [CAS]
161622-05-5 | [Synonyms]
3-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
ALPHA,ALPHA,ALPHA,5-TETRAFLUORO-M-TOLUIC ACID
BUTTPARK 32\01-71
RARECHEM AL BO 0634
à,à,à,5-tetrafluoro-m-toluic acid
3-Fluoro-5-(trifluoromethyl)benzoic acid 98%
3-Fluoro-5-(trifluoromethyl)benzoicacid98% | [Molecular Formula]
C8H4F4O2 | [MDL Number]
MFCD00061293 | [Molecular Weight]
208.11 | [MOL File]
161622-05-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
104 °C | [Boiling point ]
239.6±40.0 °C(Predicted) | [density ]
1.489±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
3.43±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [InChI]
InChI=1S/C8H4F4O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14) | [InChIKey]
NSGKIIGVPBTOBF-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(C(F)(F)F)=CC(F)=C1 | [CAS DataBase Reference]
161622-05-5(CAS DataBase Reference) |
| Safety Data | Back 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 |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Synthesis]
Preparation of 3-fluoro-5-(trifluoromethyl)benzoic acid : In 100 ml four necked round bottom flask equipped with mechanical stirrer, thermometer, reflux condenser and an addition funnel, sodium hydroxide (6.35 g) and water (10 ml) was added and stirred for 15 mins at 25-35°C. To this, 3-fluoro-5- (trifluoromethyl)benzonitrile (10 g) was added and heated to 85-90°C. The reaction mass was stirred at 85-90°C for 2 hrs. After completion of reaction, the reaction mass was allowed to cool to 25-35°C. Then, the reaction mass was acidified with aqueous hydrochloric acid and stirred for 30 mins at 25-35°C. The solid formed was filtered, washed with water, suck dried and then dried under vacuum at 50-55°C for 6 hrs to get the title compound. Yield: 8 g.
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