| Identification | More | [Name]
2-(Trifluoromethyl)benzoic acid | [CAS]
433-97-6 | [Synonyms]
ANTIMONY SODIUM FLUORIDE
SODIUM ANTIMONY FLUORIDE
SODIUM HEXAFLUOROANTIMONATE
SODIUM HEXAFLUOROANTIMONATE(V)
Benzoic acid, 2-(trifluoromethyl)-
2-(Trifluoromethyl)benzoic
à,à,à-trifluoro-o-toluic acid
α,α,α-trifluoro-o-toluic acid
2-(Trifluoromethyl)benzoic acid 98%
2-(Trifluoromethyl)benzoicacid98%
2-(Trifluoromethyl)benzoic acid
2-Carboxybenzotrifluoride
alpha,alpha,alpha-Trifluoro-o-toluic acid
2-TRIFLUROMETHYLBENZOIC ACID
α,α,α-Trifluoro-o-toluic acid, 2-Carboxybenzotrifluoride
2，2，2-trifluoro-o-toluic acid | [EINECS(EC#)]
240-989-8 | [Molecular Formula]
C8H5F3O2 | [MDL Number]
MFCD00003482 | [Molecular Weight]
190.12 | [MOL File]
433-97-6.mol |
| Chemical Properties | Back Directory | [Appearance]
slightly yellow to yellow-brown crystalline powder | [Melting point ]
107-110 °C(lit.)
| [Boiling point ]
247 °C753 mm Hg(lit.)
| [density ]
3.375 g/mL at 25 °C(lit.)
| [Fp ]
247-254°C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
3.20±0.36(Predicted) | [color ]
Slightly yellow to yellow-brown | [Water Solubility ]
4.8g/L(25 ºC) | [Detection Methods]
HPLC,NMR | [BRN ]
976984 | [InChI]
1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) | [InChIKey]
FBRJYBGLCHWYOE-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccccc1C(F)(F)F | [CAS DataBase Reference]
433-97-6(CAS DataBase Reference) | [NIST Chemistry Reference]
«alpha»,«alpha»,«alpha»-Trifluoro-o-toluic acid(433-97-6) | [EPA Substance Registry System]
Benzoic acid, 2-(trifluoromethyl)- (433-97-6) |
| Questions And Answer | Back Directory | [Uses]
2-(Trifluoromethyl)benzoic Acid is used in biochemical genetics studies such as Plasmid-encoded phthalate catabolic pathway in Arthrobacter keyseri 12B. |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N,Xi | [Risk Statements ]
R20/22:Harmful by inhalation and if swallowed .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 1549 6.1/PG 3
| [WGK Germany ]
2
| [F ]
1-10 | [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [HazardClass ]
IRRITANT | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
slightly yellow to yellow-brown crystalline powder | [Definition]
ChEBI: A benzoic acid carrying a trifluoromethyl substituent at the 2-position. | [Synthesis]
In a 5L stainless steel high-pressure reactor equipped with a mixer and a thermometer, the temperature was lowered to below 5°C, hydrogen fluoride and 2-trichloromethyl dichlorobenzyl were added sequentially and the mass ratio of the two was 0.2:1, and |
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