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2-[N,N-Bis(trifluoromethylsulfonyl)amino]pyridine

  • Name 2-[N,N-Bis(trifluoromethylsulfonyl)amino]pyridine
  • EINECSN/A
  • CAS No. 145100-50-1
  • Density1.832 g/cm3
  • PSA101.17000
  • LogP3.74880
  • SolubilityHydrolyzes in water.
  • Melting Point40-42 °C(lit.)
  • FormulaC7H4F6N2O4S2
  • Boiling Point324.8 °C at 760 mmHg
  • Molecular Weight358.242
  • Flash Point150.2 °C
  • Transport InformationN/A
  • AppearanceWhite to almost white crystals or powder
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 145100-50-1 (2-[N,N-BIS(TRIFLUOROMETHYLSULFONYL)AMINO]PYRIDINE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data5

2-[N,N-Bis(trifluoromethylsulfonyl)amino]pyridine Specification

The Methanesulfonamide,1,1,1-trifluoro-N-2-pyridinyl-N-[(trifluoromethyl)sulfonyl]-, with the CAS registry number 145100-50-1, is also known as 2-[N,N-Bis(trifluoromethanesulfonyl)amino]pyridine. This chemical's molecular formula is C7H4F6N2O4S2 and molecular weight is 358.24. What's more, its systematic name is 1,1,1-trifluoro-N-(pyridin-2-yl)-N-[(trifluoromethyl)sulfonyl]methanesulfonamide. 

Physical properties of Methanesulfonamide,1,1,1-trifluoro-N-2-pyridinyl-N-[(trifluoromethyl)sulfonyl]- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.45; (6)ACD/BCF (pH 7.4): 26.45; (7)ACD/KOC (pH 5.5): 362.91; (8)ACD/KOC (pH 7.4): 362.91; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 101.17 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 56.06 cm3; (15)Molar Volume: 195.4 cm3; (16)Polarizability: 22.22×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.832 g/cm3; (19)Flash Point: 150.2 °C; (20)Enthalpy of Vaporization: 56.69 kJ/mol; (21)Boiling Point: 324.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00024 mmHg at 25°C.

Preparation of Methanesulfonamide,1,1,1-trifluoro-N-2-pyridinyl-N-[(trifluoromethyl)sulfonyl]-: this chemical can be prepared by pyridin-2-ylamine and trifluoro-methanesulfonic acid anhydride at the room temperature. This reaction will need reagent pyridine and solvent CH2Cl2 with the reaction time of 12 hours. The yield is about 83%.

Methanesulfonamide,1,1,1-trifluoro-N-2-pyridinyl-N-[(trifluoromethyl)sulfonyl]- can be prepared by pyridin-2-ylamine and trifluoro-methanesulfonic acid anhydride at the room temperature

Uses of Methanesulfonamide,1,1,1-trifluoro-N-2-pyridinyl-N-[(trifluoromethyl)sulfonyl]-: it can be used to trifluoro-methanesulfonic acid 1-(tert-butyl-dimethyl-silanyl)-1H-indol-5-yl ester. It will need reagent MeLi and solvent tetrahydrofuran. The yield is about 75%.

Methanesulfonamide,1,1,1-trifluoro-N-2-pyridinyl-N-[(trifluoromethyl)sulfonyl]- can be used to trifluoro-methanesulfonic acid 1-(tert-butyl-dimethyl-silanyl)-1H-indol-5-yl ester

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(c1ncccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1S/C7H4F6N2O4S2/c8-6(9,10)20(16,17)15(5-3-1-2-4-14-5)21(18,19)7(11,12)13/h1-4H
(3)InChIKey: DXLQEJHUQKKSRB-UHFFFAOYSA-N

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