| Identification | Back Directory | [Name]
3-BROMO-4-CHLOROBENZONITRILE | [CAS]
948549-53-9 | [Synonyms]
3-broMo -4-benzene nitrile
3-Bromo-4-Chlorobenzinitrle
3-BROMO-4-CHLOROBENZONITRILE
Benzonitrile, 3-bromo-4-chloro- | [Molecular Formula]
C7H3BrClN | [MDL Number]
MFCD09025661 | [MOL File]
948549-53-9.mol | [Molecular Weight]
216.46 |
| Chemical Properties | Back Directory | [Boiling point ]
260.2±20.0 °C(Predicted) | [density ]
1.74±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C7H3BrClN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H | [InChIKey]
GTTSCQCUEKBTNZ-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(Cl)C(Br)=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white crystalline | [Synthesis]
General procedure for the synthesis of 3-bromo-4-chlorobenzonitrile from p-chlorobenzonitrile: 5-chlorobenzonitrile (5 g, 3.63 mmol) was added to 100 mL of 70% sulfuric acid solution, and potassium bromate (6.5 g, 5.98 mmol) was added slowly under stirring conditions. After the addition was completed, the reaction was continued with stirring at room temperature for 4 hours. At the end of the reaction, the product was collected by filtration and dried to give a white solid (5.5 g). The product was analyzed by gas chromatography (GC) with 98% purity and 70% yield. | [References]
[1] Patent: CN103524456, 2016, B. Location in patent: Paragraph 0053; 0055; 0057-0059 |
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