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1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide

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Name

1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide

EINECS N/A
CAS No. 84246-29-7 Density 2.09 g/cm3
PSA 97.07000 LogP 2.56050
Solubility Completely soluble in water Melting Point N/A
Formula C3HF6NO4S2 Boiling Point 276.1 °C at 760 mmHg
Molecular Weight 293.16 Flash Point 120.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 84246-29-7 (1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide) Hazard Symbols N/A
Synonyms

4,4,5,5,6,6-HEXAFLUORODIHYDRO-4H-1,3,2-DITHIAZINE 1,1,3,3-TETRAOXIDE;4,4,5,5,6,6-HEXAFLUOROPERHYDRO-1,3,2-DITHIAZINE 1,1,3,3-TETRAOXIDE;1,1,2,2,3,3-HEXAFLUOROPROPANE-1,3-DISULFONIMIDE

 

1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide Specification

This chemical is called 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide, and it can also be named as 4H-1,3,2-dithiazine, 4,4,5,5,6,6-hexafluorodihydro-, 1,1,3,3-tetraoxide. With the molecular formula of C3HF6NO4S2, its molecular weight is 293.16. The CAS registry number of this chemical is 84246-29-7, and its product categories are Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry.

Other characteristics of the 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide can be summarised as followings: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.58; (4)ACD/LogD (pH 7.4): -2.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 88.28 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 35.91 cm3; (15)Molar Volume: 140 cm3; (16)Polarizability: 14.23×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 2.09 g/cm3; (19)Flash Point: 120.8 °C; (20)Enthalpy of Vaporization: 51.46 kJ/mol; (21)Boiling Point: 276.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00489 mmHg at 25°C.

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

You can still convert the following datas into molecular structure: 
1.SMILES: O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F
2.InChI: InChI=1/C3HF6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h10H
3.InChIKey: WOAGDWWRYOZHDS-UHFFFAOYAS

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