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| | 3-Fluorobenzotrifluoride Basic information |
| | 3-Fluorobenzotrifluoride Chemical Properties |
| Melting point | -81.5°C | | Boiling point | 101-102 °C(lit.) | | density | 1.302 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.4(lit.) | | Fp | 45 °F | | storage temp. | Sealed in dry,2-8°C | | solubility | Chloroform | | form | Oil | | Specific Gravity | 1.302 | | color | Clear Colourless | | BRN | 2045664 | | InChI | InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H | | InChIKey | GBOWGKOVMBDPJF-UHFFFAOYSA-N | | SMILES | C1(F)=CC=CC(C(F)(F)F)=C1 | | CAS DataBase Reference | 401-80-9(CAS DataBase Reference) | | NIST Chemistry Reference | 1-Fluoro-3-(trifluoro-methyl)benzene(401-80-9) |
| Hazard Codes | F,Xi | | Risk Statements | 11-36/37/38 | | Safety Statements | 16-26-36-24/25-33-7/9 | | RIDADR | UN 1993 3/PG 2 | | WGK Germany | 3 | | Hazard Note | Flammable/Irritant | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29039990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Fluorobenzotrifluoride Usage And Synthesis |
| Chemical Properties | Clear colourless to light yellow liquid | | Uses | 3-Fluorobenzotrifluoride is a fluorniated toluene used in photochemical reactions with aliphatic amines as well as in photocycloaddition reactions. | | Uses | 3-Fluorobenzotrifluoride was used:
- as fluorinated aromatic solvent to investigate electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene and anthracene
- used to preparae 2-nitro-5-fluorobenzotrifluoride via nitration reaction
| | Synthesis | The general procedure for the synthesis of 3-fluorobenzotrifluoride (3-FBT) from m-aminobenzotrifluoride is as follows: in a three-necked round-bottomed flask equipped with a reflux condenser, thermocouples, and a stirring system, m-aminobenzotrifluoride is dissolved in o-dichlorobenzene or benzylnitrile and the reaction temperature is maintained at a temperature lower than 0 °C. Subsequently, 1.4-1.5 molar equivalents of BF3.Et2O or BF3.2H2O were slowly added. tert-butyl nitrite dissolved in the same solvent was added to the reaction mixture at ambient temperature. Next, the reaction medium was heated according to the temperature and time specified in Table (I). The reaction results were recorded in Table (I). | | References | [1] Tetrahedron, 1996, vol. 52, # 1, p. 23 - 36
[2] Tetrahedron Letters, 2006, vol. 47, # 32, p. 5705 - 5708
[3] Patent: US2007/276168, 2007, A1. Location in patent: Page/Page column 8
[4] Journal de Chimie Physique et de Physico-Chimie Biologique, 1923, vol. 20, p. 60
[5] Chem. Zentralbl., 1923, vol. 94, # III, p. 918 |
| | 3-Fluorobenzotrifluoride Preparation Products And Raw materials |
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