|
|
| | 2,5-Difluoronitrobenzene Basic information |
| Product Name: | 2,5-Difluoronitrobenzene | | Synonyms: | 1,4-difluoro-2-nitro-benzen;Benzene, 1,4-difluoro-2-nitro-;2,5-DIFLUORONITROBENZENE;2, 5 - two fluorine nitrobenzene;2,5-Difluotonitrobenzene;AKOS BBS-00006468;2,5-Difluoro-1-nitrobenzene;Benzene, 1,4-difluoro-2-nitro- (6CI,7CI,8CI,9CI) | | CAS: | 364-74-9 | | MF: | C6H3F2NO2 | | MW: | 159.09 | | EINECS: | 206-663-4 | | Product Categories: | Fluorine series;HALIDE;Anilines, Aromatic Amines and Nitro Compounds;Miscellaneous | | Mol File: | 364-74-9.mol |  |
| | 2,5-Difluoronitrobenzene Chemical Properties |
| Melting point | -11.7 °C (lit.) | | Boiling point | 206.5 °C (lit.) | | density | 1.467 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.509(lit.) | | Fp | 194 °F | | storage temp. | Sealed in dry,Room Temperature | | form | Liquid | | color | Clear yellow | | Specific Gravity | 1.467 | | Water Solubility | insoluble | | BRN | 2210200 | | InChI | InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H | | InChIKey | XNJAYQHWXYJBBD-UHFFFAOYSA-N | | SMILES | C1(F)=CC=C(F)C=C1[N+]([O-])=O | | CAS DataBase Reference | 364-74-9(CAS DataBase Reference) | | NIST Chemistry Reference | 2,5-Difluoronitrobenzene(364-74-9) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | RIDADR | 2810 | | WGK Germany | 3 | | RTECS | CZ5715000 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29049090 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,5-Difluoronitrobenzene Usage And Synthesis |
| Chemical Properties | CLEAR YELLOW LIQUID | | Uses | 2,5-Difluoronitrobenzene was used in the synthesis of :
- N-alkylated 2-arylaminobenzimidazoles
- quinoxalinones
- N-(2-nitro-4-fluorophenyl)-l,2,3,4-tetrahydroisoquinoline
| | Synthesis | GENERAL STEPS: In a FEP or PFA reactor fitted 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 batchwise addition of XeF2 (1.2-1.3 mmol/mmol C6H5R). After each addition, the mixture was stirred at 22-25 °C for 3-5 min and recooled. After the addition was completed, the dark solution was continued to be stirred at 22-25 °C for 15-30 min. At the end of the reaction, the reaction was quenched by the addition of 10% aqueous KHCO3, the upper organic layer was separated and filtered through a short column packed with silica gel (40-60 μm) and subsequently dried with magnesium sulfate. The final products were analyzed by 19F NMR and GC/MS. The major products are listed in the table and the others 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 |
| | 2,5-Difluoronitrobenzene Preparation Products And Raw materials |
|