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Chemical Structure| 6095-82-5 Chemical Structure| 6095-82-5

Structure of 6095-82-5

Chemical Structure| 6095-82-5

2,4,6-Trimethylphenylisothiocyanate

CAS No.: 6095-82-5

4.5 *For Research Use Only !

Cat. No.: A260229 Purity: 97%

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Product Details of [ 6095-82-5 ]

CAS No. :6095-82-5
Formula : C10H11NS
M.W : 177.27
SMILES Code : CC1=C(N=C=S)C(C)=CC(C)=C1
MDL No. :MFCD00022055
InChI Key :KKYMYPLVBCVDPL-UHFFFAOYSA-N
Pubchem ID :138659

Safety of [ 6095-82-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301+H331-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 6095-82-5 ]

* 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 [ 6095-82-5 ]

[ 6095-82-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 603-87-2 ]
  • [ 6095-82-5 ]
  • [ 851886-82-3 ]
YieldReaction ConditionsOperation in experiment
80% With sodium carbonate; In ethanol;Heating / reflux; To a mixture containing 0.10 g (0.65 mmol) of 2-amino- 6-nitrophenol and 0.14 g (1.3 mmol) of sodium carbonate in ethanol was added 0.14 g (0.78 mmol) of 2-isothiocyanato- 1,3, 5-trimethylbenzene. The reaction was heated at reflux overnight. The reaction was cooled to room temperature, filtered and concentrated under reduced pressure. Purification of the residue via Biotage chromatography eluting with 20% ethyl acetate/dichloromethane gave 0.17 g (80 %) of product. MS Calcd.: 331 ; Found: 332 (M+H).
 

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