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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
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Chemical Structure| 330-94-9 Chemical Structure| 330-94-9
Chemical Structure| 330-94-9
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Product Details of [ 330-94-9 ]

CAS No. :330-94-9
Formula : C7H8FN3S
M.W : 185.22
SMILES Code : NNC(NC1=CC=C(F)C=C1)=S
MDL No. :MFCD00041294

Safety of [ 330-94-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301
Precautionary Statements:P264-P270-P301+P310-P330-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 330-94-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 330-94-9 ]

[ 330-94-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6374-91-0 ]
  • [ 330-94-9 ]
  • (Z)-2-(5,7-dibromo-2-oxoindolin-3-ylidene)-N-(4-fluorophenyl)hydrazinecarbo thioamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% With acetic acid; In ethanol; water;Reflux; General procedure: The chemical synthesis route of the target IBT compounds is illustrated in Scheme 1. The IBTs 3 were synthesized by the reaction of isatin 1 and N-phenylhydrazinecarbothioamide 2 in an aqueous solution of ethanol and acetic acid under reflux [22,23]. Generally, equivalent 1 and 2 was dissolved in a solution of acetic acid/water/alcohol solution, and then the mixture was refluxed for approximate 5-6 h. The reaction mixture was subsequently cooled to room temperature and in most cases a yellow or orange solid precipitated out. This precipitate was filtered, washed with water, and then dried to give a crude product. Recrystallization from ethanol gave pure solid in high yields. 4.2.9 (Z)-2-(5,7-Dibromo-2-oxoindolin-3-ylidene)-N-(4-fluorophenyl)hydrazinecarbo thioamide (3-9) Yield 83%; m.p.: 264-265 C; yellow solid; 1H NMR (DMSO-d6, 300 MHz), δ 12.56 (s, 1H, NNH), 11.70 (s, 1H, NH), 10.95 (s, 1H, SCNH), 8.01 (s, 1H, isatin ArH), 7.82 (s, 1H, isatin ArH), 7.61-7.57 (m, 2H, ArH), 7.32-7.26 (m, 2H, ArH); Elemental analysis calculated for C15H9BrN4O5, C: 38.16, H: 1.92, N: 11.87, found C: 38.47, H: 2.12, N: 12.05; ESI-MS m/z: 472, [M - H]-.
 

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