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50585-74-5

Basic Information
CAS No.: 50585-74-5
Name: Difluoromethanesulfonamide
Molecular Structure:
Molecular Structure of 50585-74-5 (Difluoromethanesulfonamide)
Formula: CH3F2NO2S
Molecular Weight: 131.103
Synonyms: 1,1-difluoromethanesulfonamide;
Density: 1.618 g/cm3
Boiling Point: 231.063 °C at 760 mmHg
Flash Point: 93.544 °C
PSA: 68.54000
LogP: 1.27860
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  • DIFLUOROMETHANESULFONAMIDE  CAS NO.50585-74-5

  • Casno:

    50585-74-5

    DIFLUOROMETHANESULFONAMIDE CAS NO.50585-74-5

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    Molecular Formula CH3F2NO2S Molecular Weight 131.10 CAS Registry Number 50585-74-5 NameDifluoromethanesulfonamideMolecular S…

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Specification

The Difluoromethanesulfonamide, with the cas registry number 50585-74-5, has the systematic name of 1,1-difluoromethanesulfonamide. And the molecular formula of the chemical is CH3F2NO2S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9; (6)ACD/KOC (pH 7.4): 5; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 68.54 Å2; (11)Index of Refraction: 1.393; (12)Molar Refractivity: 19.325 cm3; (13)Molar Volume: 81.024 cm3; (14)Polarizability: 7.661×10-24cm3; (15)Surface Tension: 37.542 dyne/cm; (16)Density: 1.618 g/cm3; (17)Flash Point: 93.544 °C; (18)Enthalpy of Vaporization: 46.772 kJ/mol; (19)Boiling Point: 231.063 °C at 760 mmHg; (20)Vapour Pressure: 0.064 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)S(N)(=O)=O
(2)InChI: InChI=1/CH3F2NO2S/c2-1(3)7(4,5)6/h1H,(H2,4,5,6)
(3)InChIKey: CWKHJADKQVHTAU-UHFFFAOYAV