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| | 3-Chloro-4-fluorobenzotrifluoride Basic information |
| | 3-Chloro-4-fluorobenzotrifluoride Chemical Properties |
| 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 | | Henry's Law Constant | 2.4×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010) | | 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 | Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- (78068-85-6) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-20/21/22 | | Safety Statements | 26-36 | | RIDADR | 1993 | | Hazard Note | Irritant | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | Ⅲ | | HS Code | 29039990 |
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ALFA
| English |
| | 3-Chloro-4-fluorobenzotrifluoride Usage And Synthesis |
| 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-Chloro-4-fluorobenzotrifluoride Preparation Products And Raw materials |
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