| Identification | More | [Name]
1-CHLORO-2,4-DIFLUOROBENZENE | [CAS]
1435-44-5 | [Synonyms]
1-CHLORO-2,4-DIFLUOROBENZENE
2,4-DIFLUOROCHLOROBENZENE
Benzene,1-chloro-2,4-difluoro-
1-Chloro-2,4-difluorobenzene 98%
1-Chloro-2,4-difluorobenzene98%
2,4-Diflurochlorobenzene
2,4-Difluorchlorbenzol
1-CHLORO-2,4-DIFLUOROBENZENE/2,4-DIFLUOROCHLOROBENZENE | [EINECS(EC#)]
604-365-2 | [Molecular Formula]
C6H3ClF2 | [MDL Number]
MFCD00042569 | [Molecular Weight]
148.54 | [MOL File]
1435-44-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colourless to light yellow liquid | [Melting point ]
-26 °C
| [Boiling point ]
127 °C (lit.) | [density ]
1.353 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.475(lit.)
| [Fp ]
91 °F
| [storage temp. ]
Flammables area | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Specific Gravity]
1.353 | [BRN ]
2081077 | [InChI]
InChI=1S/C6H3ClF2/c7-5-2-1-4(8)3-6(5)9/h1-3H | [InChIKey]
AJCSNHQKXUSMMY-UHFFFAOYSA-N | [SMILES]
C1(Cl)=CC=C(F)C=C1F | [CAS DataBase Reference]
1435-44-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,F | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
2
| [Hazard Note ]
Flammable | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29039990 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colourless to light yellow liquid | [Uses]
1-Chloro-2,4-difluorobenzene was used in the preparation of series of benzonorbornadienes. It was also used in the preparation of difluoroarenes. | [Synthesis]
GENERAL STEPS: In a FEP or PFA reactor equipped with a PTFE-lined magnetic stir bar and connected to a gas scrubber bottle, substituted benzene (0.95-1.10 mmol), 1,1,1,3,3-pentafluorobutane (2 mL per mL of C6H5R), and BF3-Et2O (1.3-1.5 mmol/mmol C6H5R) were added. The reaction mixture was stirred at 0-5 °C (ice bath) for 10-15 min, followed by batchwise addition of XeF2 (1.2-1.3 mmol/mmol C6H5R). After each addition, the mixture was stirred for 3-5 min at 22-25 °C and re-cooled to 0-5 °C. After complete addition of XeF2, the dark-colored reaction solution was continued to be stirred at 22-25 °C for 15-30 min. Upon completion of the reaction, the reaction was quenched by the addition of 10% aqueous KHCO3, the organic layer was separated and filtered through a short column packed with silica gel (40-60 μm). The organic phase was dried with magnesium sulfate and analyzed by 19F NMR and GC/MS. The major products are listed in the table, and the other products are as follows (with GC/MS data). | [References]
[1] Russian Journal of Organic Chemistry, 2016, vol. 52, # 10, p. 1400 - 1407
[2] Zh. Org. Khim., 2016, vol. 52, # 10, p. 1412 - 1419,8 |
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