| Identification | More | [Name]
3-Chloro-2-fluorobenzonitrile | [CAS]
94087-40-8 | [Synonyms]
2-FLUORO-3-CHLOROBENZONITRILE
3-CHLORO-2-FLUOROBENZONITRILE
BUTTPARK 45\01-06 | [EINECS(EC#)]
301-934-4 | [Molecular Formula]
C7H3ClFN | [MDL Number]
MFCD00042206 | [Molecular Weight]
155.56 | [MOL File]
94087-40-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,Xi,N | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [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 |
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