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[ CAS No. 2905-60-4 ]

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Chemical Structure| 2905-60-4
Chemical Structure| 2905-60-4
Structure of 2905-60-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 2905-60-4 ]

CAS No. :2905-60-4 MDL No. :MFCD00035937
Formula : C7H3Cl3O Boiling Point : 140°C at 14 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :209.46 g/mol Pubchem ID :-
Synonyms :

Safety of [ 2905-60-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P273-P280-P305+P351+P338-P310-P501 UN#:3261
Hazard Statements:H302-H314-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2905-60-4 ]

  • Upstream synthesis route of [ 2905-60-4 ]
  • Downstream synthetic route of [ 2905-60-4 ]

[ 2905-60-4 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 2905-60-4 ]
  • [ 6574-97-6 ]
Reference: [1] Journal of Medicinal Chemistry, 2000, vol. 43, # 8, p. 1586 - 1603
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  • [ 2905-60-4 ]
  • [ 438197-19-4 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 4, p. 1368 - 1372
  • 3
  • [ 2905-60-4 ]
  • [ 143-33-9 ]
  • [ 77668-42-9 ]
YieldReaction ConditionsOperation in experiment
80% With copper(l) iodide In acetonitrile at 20℃; for 6 - 9 h; 1. Synthesis of 2,3-dichlorobenzoyl cyanide2,3-Dichlorobenzoyl chloride (20.0 g, 100 mmol) and copper(I) iodide (0.90 g, 4.7 mmol) were suspended in acetonitrile (50 mL) and stirred at room temperature until a yellow homogeneous solution formed. Solid sodium cyanide (5.15 g, 1 10 mmol) was charged within 5 to 8 hours. After complete addition the reaction mixture was stirred for one hour, monitoring completion of the reaction by HPLC. The formed inorganic salts (mainly NaCl) were filtered off and washed with acetonitrile (15 mL). The acetonitrile was distilled off at reduced pressure (about 150 mbar). Sodium metabisulfte (Na2S2Os, 0-4 g, 3 mmol) was added to remove traces of iodine. The product was finally isolated by vacuum distillation at 140 0C (jacket temperature), b.p. 115 °C (2 mbar).The isolated yield of 2,3-dichlorobenzoyl cyanide (m.p. 60 °C) was >80 percent with a purity of 100percent (according to analytical HPLC).
Reference: [1] Patent: WO2008/19798, 2008, A1, . Location in patent: Page/Page column 12
  • 4
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  • [ 77668-42-9 ]
Reference: [1] Patent: WO2005/3104, 2005, A2, . Location in patent: Page 11
  • 5
  • [ 2905-60-4 ]
  • [ 544-92-3 ]
  • [ 77668-42-9 ]
YieldReaction ConditionsOperation in experiment
94.2% at 160 - 165℃; for 7 h; Example 6: Synthesis of 2,3-dichlorobenzoyl cyanide; A reactor was loaded with 350.0 g of 2,3-dichlorobenzoyl chloride (1.67 moles) and 200.0 g of cuprous cyanide. The mixture was heated to 160-165 0C and stirred at this temperature for 7 hours. The mixture was cooled to 85 0C and 1200 ml of toluene was added to the mixture. The mixture was stirred for 1 hour at 60 0C, cooled to 15 0C and the inorganic salts were filtrated. The solvent toluene was distilled from the filtrate at 55 0C under reduced pressure. The crude product was crystallised from petroleum ether giving 323.3 g of 2,3-dichlorobenzoyl cyanide with an assay of 97.4 percent. Yield was 94.2 percent.
Reference: [1] Patent: WO2007/138075, 2007, A1, . Location in patent: Page/Page column 14
[2] Patent: EP1731503, 2006, A2, . Location in patent: Page/Page column 7
[3] Patent: US6639072, 2003, B1, . Location in patent: Page/Page column 8
  • 6
  • [ 2905-60-4 ]
  • [ 77668-42-9 ]
Reference: [1] Organic Process Research and Development, 2017, vol. 21, # 11, p. 1815 - 1821
[2] Organic Process Research and Development, 2017, vol. 21, # 11, p. 1815 - 1821
[3] Patent: CN106083753, 2016, A, . Location in patent: Paragraph 0031
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  • [ 773837-37-9 ]
  • [ 2905-60-4 ]
  • [ 77668-42-9 ]
  • [ 252186-80-4 ]
  • [ 50-45-3 ]
Reference: [1] Organic Process Research and Development, 2017, vol. 21, # 11, p. 1815 - 1821
  • 8
  • [ 2905-60-4 ]
  • [ 544-92-3 ]
  • [ 77668-42-9 ]
  • [ 252186-80-4 ]
Reference: [1] Patent: EP1731503, 2006, A2, . Location in patent: Page/Page column 5-6
  • 9
  • [ 2905-60-4 ]
  • [ 143-33-9 ]
  • [ 544-92-3 ]
  • [ 77668-42-9 ]
  • [ 252186-80-4 ]
Reference: [1] Patent: EP1731503, 2006, A2, . Location in patent: Page/Page column 6
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