1,1,1-Trifluoro-N-methylmethanesulfonamide supplier

Name
N-MethyltrifluoroMethanesulfonaMide
EINECS
CAS No. 34310-29-7
Article Data14
CAS DataBase
Density 1.5±0.1 g/cm³
Solubility
Melting Point
Formula C₂H₄F₃NO₂S
Boiling Point 119.6±50.0 °C at 760 mmHg
Molecular Weight 163.12
Flash Point 26.1±30.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methanesulfonamide, 1,1,1-trifluoro-N-methyl-;
PSA 54.55000
LogP 1.52710

1,1,1-Trifluoro-N-methylmethanesulfonamide Specification

1,1,1-Trifluoro-N-methylmethanesulfonamide is an organic compound with the formula C₂H₄F₃NO₂S, and its systematic name is the same with the product name. With the CAS registry number 34310-29-7, it is also named as Methanesulfonamide, 1,1,1-trifluoro-N-methyl-. In addition, the molecular weight is 163.12.

Physical properties of 1,1,1-Trifluoro-N-methylmethanesulfonamide are: (1)ACD/LogP: 0.57±0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 48.32; (8)ACD/KOC (pH 7.4): 29.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.55 Å²; (13)Index of Refraction: 1.366; (14)Molar Refractivity: 24.1±0.4 cm³; (15)Molar Volume: 107.8±3.0 cm³; (16)Polarizability: 9.6±0.5×10^-24cm³; (17)Surface Tension: 27.3±3.0 dyne/cm; (18)Density: 1.5±0.1 g/cm³; (19)Flash Point: 26.1±30.1 °C; (20)Enthalpy of Vaporization: 35.8±3.0 kJ/mol; (21)Boiling Point: 119.6±50.0 °C at 760 mmHg; (22)Vapour Pressure: 15.8±0.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNS(=O)(=O)C(F)(F)F
(2)Std. InChI: InChI=1S/C2H4F3NO2S/c1-6-9(7,8)2(3,4)5/h6H,1H3
(3)Std. InChIKey: IJOCNCZJDBTBIP-UHFFFAOYSA-N

Product Name

N-MethyltrifluoroMethanesulfonaMide

1,1,1-Trifluoro-N-methylmethanesulfonamide Specification

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