| Identification | More | [Name]
3-Chloro-4-fluorobenzotrifluoride | [CAS]
78068-85-6 | [Synonyms]
1-chloro-2-fluoro-5-(trifluoromethyl)-benzene
2-CHLORO-1-FLUORO-4-(TRIFLUOROMETHYL)BENZENE
3-CHLORO-4-FLUORO-1-(TRIFLUOROMETHYL)BENZENE
3-Chloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene
3-CHLORO-4-FLUOROBENZOTRIFLUORIDE
3-CHLORO-ALPHA,ALPHA,ALPHA,4-TETRAFLUOROTOLUENE
3-CHOLOR-4-FLUOROBENZO-TRIFLUORIDE
3-chloro-4-fluorobezotrilfuoride
3-Chloro-4-fluorobenzotrifluoride,98%
3-chloro-à,à,à,4-tetrafluorotoluene
3-chloro-4-fluorobenzontrifluoride
3-Chloro-4-fluorobenzotrifluoride 98%
2-Clor-1-fluor-4-(trifluormethyl)bezol
1-Fluoro-2-chloro-4-(trifluoromethyl)benzene | [EINECS(EC#)]
616-586-1 | [Molecular Formula]
C7H3ClF4 | [MDL Number]
MFCD00042207 | [Molecular Weight]
198.55 | [MOL File]
78068-85-6.mol |
| Chemical Properties | Back Directory | [Boiling point ]
137℃ | [density ]
1,49 g/cm3 | [refractive index ]
1.4355 | [Fp ]
42°(108°F) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform, Methanol | [form ]
Oil | [color ]
Clear Colorless | [BRN ]
4309386 | [InChI]
InChI=1S/C7H3ClF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H | [InChIKey]
BKHVEYHSOXVAOP-UHFFFAOYSA-N | [SMILES]
C1(F)=CC=C(C(F)(F)F)C=C1Cl | [CAS DataBase Reference]
78068-85-6(CAS DataBase Reference) | [EPA Substance Registry System]
78068-85-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
1993 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
3 | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29039990 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless liquid | [Uses]
3-Chloro-4-fluorobenzotrifluoride acts as a reagent in the synthesis of β-substituted 3-(4-aryloxyaryl)propanoic acid as GPR40 agonists. | [Synthesis]
In a 500 mL four-neck flask equipped with a condenser, 200 mL of N,N-dimethylacetamide (DMA), 0.2 mol of 3,4-dichlorobenzotrifluoride, 1.0 mol of potassium fluoride, and 0.01 mol of tetraphenylphosphine chloride were added. The reaction mixture was heated to 150°C until the gas chromatography (GC) content of the feedstock 3,4-dichlorobenzotrifluoride was less than 1%. Upon completion of the reaction, potassium fluoride and catalyst were recovered by diafiltration for use in the next batch of the reaction. The mother liquor was dissolved and purified by distillation to give 3-chloro-4-fluorobenzotrifluoride in 99% purity and 90% yield. | [References]
[1] Patent: CN106554289, 2017, A. Location in patent: Paragraph 0025; 0026; 0027; 0030; 0031; 0032; 0035-0037
[2] Gazzetta Chimica Italiana, 1996, vol. 126, # 7, p. 457 - 462
[3] Gazzetta Chimica Italiana, 1996, vol. 126, # 7, p. 457 - 462 |
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