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Chemistry
Organic Building Blocks
Aryls
3-Chloro-4-nitrobenzonitrile
Chemistry
Organic Building Blocks
Aryls
Chlorides Nitroes Nitriles

[ CAS No. 34662-29-8 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 34662-29-8
Chemical Structure| 34662-29-8
Structure of 34662-29-8 *Storage: {[proInfo.prStorage]}

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Quality Control of [ 34662-29-8 ]

Purity: {[proInfo.showProBatch.pb_purity]}

COA GC NMR CNMR HPLC/UPLC LC-MS

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SDS

Product Details of [ 34662-29-8 ]

CAS No. :34662-29-8MDL No. :MFCD02317167
Formula : C7H3ClN2O2 Boiling Point : -
Linear Structure Formula :-InChI Key :PAIMPYHIOHKXAT-UHFFFAOYSA-N
M.W :182.56Pubchem ID :14973028
Synonyms :

Computed Properties of [ 34662-29-8 ]

TPSA : 69.6 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 34662-29-8 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 34662-29-8 ]

  • Upstream synthesis route of [ 34662-29-8 ]
  • Downstream synthetic route of [ 34662-29-8 ]

[ 34662-29-8 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 21803-75-8 ]
  • [ 34662-29-8 ]
YieldReaction ConditionsOperation in experiment
74% With sodium borate In acetic acid at 50 - 62℃; for 3.00 h; A suspension of sodium borate tetrahydrate (32.5 g, 211.2 mmol) in 195 ml of acetic acid was heated until the temperature of the reaction mixture was above 50° C. The reaction temperature was kept this way while 2-chloro-4-cyanoaniline (5.93 g, 38.9 mmol) was added in portions over 1 h. Stirring and heating were continued for 2 hours on an oil bath of 62° C. After cooling to room temperature the reaction mixture was poured into 1 L icewater. The aqueous layer was extracted with Et2O (3.x.). The combined organic layers were washed with H2O (2.x.) and dried (MgSO4). The drying agent was removed by filtration and the solvent by evaporation under reduced pressure. The residue was chromatographed (SiO2) with Et2O/petroleum ether 1/3 as eluent to give 5.27 g (74percent) of the oxidized product.
Reference： [1] Patent: US2006/122189, 2006, A1. Location in patent: Page/Page column 22
[2] Chemical and Pharmaceutical Bulletin, 1992, vol. 40, # 9, p. 2399 - 2409
[3] Patent: US2003/69257, 2003, A1
[4] Patent: EP1247810, 2002, A1. Location in patent: Page 59
  • 2
  • [ 21803-75-8 ]
  • [ 1317-39-1 ]
  • [ 34662-29-8 ]
Reference： [1] Patent: US2003/78432, 2003, A1
  • 3
  • [ 825-41-2 ]
  • [ 34662-29-8 ]
Reference： [1] Journal fuer Praktische Chemie (Leipzig), 1888, vol. <2> 37, p. 197

Tags: 34662-29-8; 3-Chloro-4-nitrobenzonitrile; Aryls

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