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| | 3-Chloro-2-fluorobenzonitrile Basic information |
| | 3-Chloro-2-fluorobenzonitrile Chemical Properties |
| Melting point | 40-44 °C(lit.) | | Boiling point | 206.3±20.0 °C(Predicted) | | density | 1.33±0.1 g/cm3(Predicted) | | Fp | 164 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to lump | | color | White to Light yellow to Light orange | | InChI | InChI=1S/C7H3ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H | | InChIKey | CHKLNKWJIDQKFV-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC=CC(Cl)=C1F | | CAS DataBase Reference | 94087-40-8(CAS DataBase Reference) | | NIST Chemistry Reference | Benzonitrile, 3-chloro-2-fluoro-(94087-40-8) |
| Hazard Codes | Xn,T,Xi,N | | Risk Statements | 20/21/22 | | Safety Statements | 36/37 | | RIDADR | 3439 | | WGK Germany | 3 | | Hazard Note | Toxic | | HazardClass | IRRITANT | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation |
| | 3-Chloro-2-fluorobenzonitrile Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Synthesis | General procedure for the synthesis of 3-chloro-2-fluorobenzonitrile from 2,3-dichlorobenzonitrile: Under the protection of nitrogen, 1200g of cyclobutanesulfone, 280g of potassium fluoride, 50g of tetramethylammonium chloride and 688g of 2,3-dichlorobenzonitrile were added to a dry 2L four-necked flask. stirring was turned on, and the temperature was slowly raised to 210°C and kept at this temperature for 8 hours, and the progress of the reaction was monitored by a control sample until the The content of the reaction material was ≤1%. After the reaction was completed, the reaction solution was subjected to short distillation, and 560 g of 2-fluoro-3-chlorobenzonitrile was collected, with the product purity ≥99% and the yield of 90%. | | References | [1] Patent: CN104529729, 2016, B. Location in patent: Paragraph 0025; 0026
[2] Angewandte Chemie - International Edition, 2006, vol. 45, # 17, p. 2720 - 2725 |
| | 3-Chloro-2-fluorobenzonitrile Preparation Products And Raw materials |
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