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Bis(trifluoromethane)sulfonimide

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Name

Bis(trifluoromethane)sulfonimide

EINECS 214-152-2
CAS No. 82113-65-3 Density 1.936 g/cm3
PSA 97.07000 LogP 2.82770
Solubility N/A Melting Point 52-56 °C
Formula C2HF6NO4S2 Boiling Point 190.5 °C at 760 mmHg
Molecular Weight 281.157 Flash Point 69 °C
Transport Information UN 2922 Appearance light yellow to brown liquid
Safety 26-36/37/39-45 Risk Codes 34-40-14
Molecular Structure Molecular Structure of 82113-65-3 (TRIFLUOROMETHANESULFONIMIDE) Hazard Symbols CorrosiveC
Synonyms

1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonimide;Bis(trifluoromethanesulfonyl)amine;Bis(trifluoromethanesulfonyl)imide;Bis(trifluoromethylsulfonyl)amine;Bis(trifluoromethylsulfonyl)imide;Triflicimide;Triflimide;

Article Data 19

Bis(trifluoromethane)sulfonimide Specification

The Bis(trifluoromethane)sulfonimide, with the CAS registry number 82113-65-3, is also known as Methanesulfonamide, 1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)-. This chemical's molecular formula is C2HF6NO4S2 and formula weight is 281.15. What's more, its IUPAC name and systematic name are the same which is called 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] which is light yellow to brown liquid.

Physical properties about Bis(trifluoromethane)sulfonimide are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.54; (8)ACD/KOC (pH 7.4): 1.54; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.376; (13)Molar Refractivity: 33.32 cm3; (14)Molar Volume: 145.2 cm3; (15)Surface Tension: 35 dyne/cm; (16)Density: 1.936 g/cm3; (17)Flash Point: 69 °C; (18)Melting Point: 52-56 °C; (19)Enthalpy of Vaporization: 42.67 kJ/mol; (20)Boiling Point: 190.5 °C at 760 mmHg; (21)Vapour Pressure: 0.54 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H
(3)InChIKey: ZXMGHDIOOHOAAE-UHFFFAOYAI

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