CAS No.145100-50-1,2-[N,N-BIS(TRIFLUOROMETHYLSULFONYL)AMINO]PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	145100-50-1
Name:	2-[N,N-BIS(TRIFLUOROMETHYLSULFONYL)AMINO]PYRIDINE
Article Data:	5

Formula:	C₇H₄F₆N₂O₄S₂
Molecular Weight:	358.242
Synonyms:	2-[N,N-Bis(trifluoromethanesulfonyl)amino]pyridine;2-[N,N-Bis(trifluoromethylsulfonyl)amino]pyridine;N-(2-Pyridyl)triflimide;
Density:	1.832 g/cm³
Melting Point:	40-42 °C(lit.)
Boiling Point:	324.8 °C at 760 mmHg
Flash Point:	150.2 °C
Solubility:	Hydrolyzes in water.
Appearance:	White to almost white crystals or powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	101.17000
LogP:	3.74880

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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