|
|
| | 1-Chloro-3,4-difluorobenzene Basic information |
| Product Name: | 1-Chloro-3,4-difluorobenzene | | Synonyms: | 1-Chloro-3,4-difluorobenzene~3,4-Difluorochlorobenzene;4-BROMO-2-BENZONITRILE-4-CHLORO-1,2-DIFLUOROBENZENE;1-Chloro-3,4-difluorobenzene 98%;1-Chloro-3,4-difluorobenzene98%;1-Choro-3,4-difluorobenzene;3,4-Difluorochlorobenzene 98%;1-Chloro-3,4-difluorobenzene,99%;4-Bromo-2-Benzonitri | | CAS: | 696-02-6 | | MF: | C6H3ClF2 | | MW: | 148.54 | | EINECS: | 614-988-1 | | Product Categories: | Fluorine series;Halogenated Heterocycles ,Thiophenes;Chlorine Compounds;Fluorine Compounds;Aryl;Halogenated Hydrocarbons;Aromatic Hydrocarbons (substituted) & Derivatives;Heterocyclic Compounds;C6 | | Mol File: | 696-02-6.mol |  |
| | 1-Chloro-3,4-difluorobenzene Chemical Properties |
| Boiling point | 126 °C (lit.) | | density | 1.33 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.475(lit.) | | Fp | 96 °F | | storage temp. | Sealed in dry,Room Temperature | | form | clear liquid | | color | Colorless to Light yellow | | BRN | 2081081 | | InChI | InChI=1S/C6H3ClF2/c7-4-1-2-5(8)6(9)3-4/h1-3H | | InChIKey | OPQMRQYYRSTBME-UHFFFAOYSA-N | | SMILES | C1(F)=CC=C(Cl)C=C1F | | CAS DataBase Reference | 696-02-6(CAS DataBase Reference) | | NIST Chemistry Reference | 1-Chloro-3,4-difluorobenzene(696-02-6) |
| Hazard Codes | Xn,F,Xi,N | | Risk Statements | 10-22-36/37/38 | | Safety Statements | 16-26-36-37/39 | | RIDADR | UN 1993 3/PG 3 | | WGK Germany | 3 | | Hazard Note | Flammable | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29039990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| | 1-Chloro-3,4-difluorobenzene Usage And Synthesis |
| Chemical Properties | Clear colourless to light yellow liquid | | Uses | 4-Chloro-1,2-difluorobenzene may be used in the preparation of 1-chloro-4,5-difluoro-2-nitrobenzene. | | General Description | 4-Chloro-1,2-difluorobenzene is a halogenated benzene derivative. Its proton shielding has been computed using ab initio methods. | | 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 mixture was stirred at 0-5 °C (ice bath) for 10-15 min, followed by the addition of XeF2 (1.2-1.3 mmol/mmol C6H5R) in batches. After each addition, the mixture was stirred at 22-25 °C for 3-5 min and recooled. After all XeF2 was added, the resulting dark-colored 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) and finally dried over magnesium sulfate. The resulting solution was analyzed by 19F NMR and GC/MS. The major products are listed in the table and the remaining 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 |
| | 1-Chloro-3,4-difluorobenzene Preparation Products And Raw materials |
|