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CAS No.: | 1535-65-5 |
---|---|
Name: | [(Difluoromethyl)sulfonyl]benzene |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C7H6F2O2S |
Molecular Weight: | 192.186 |
Synonyms: | Benzene, [(difluoromethyl)sulfonyl]-;Difluoromethyl phenyl sulfone; |
Density: | 1.349 g/cm3 |
Melting Point: | 24-25℃ |
Boiling Point: | 289.547 °C at 760 mmHg |
Flash Point: | 128.914 °C |
Solubility: | Soluble in chloroform and water. |
Hazard Symbols: | Xi |
Risk Codes: | 36/38 |
Safety: | 26-24/25 |
PSA: | 42.52000 |
LogP: | 2.76370 |
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[(Difluoromethyl)sulfonyl]benzene is an organic compound with the formula C7H6F2O2S, and its systematic name is the same with the product name. With the CAS registry number 1535-65-5, it is also named as Benzene, [(difluoromethyl)sulfonyl]-. In addition, the molecular weight is 192.18.
Physical properties of [(Difluoromethyl)sulfonyl]benzene are: (1)ACD/LogP: 1.462; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.61; (6)ACD/BCF (pH 7.4): 7.61; (7)ACD/KOC (pH 5.5): 148.72; (8)ACD/KOC (pH 7.4): 148.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 40.414 cm3; (15)Molar Volume: 142.483 cm3; (16)Polarizability: 16.021×10-24cm3; (17)Surface Tension: 32.26 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 128.914 °C; (20)Enthalpy of Vaporization: 50.765 kJ/mol; (21)Boiling Point: 289.547 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)C(F)F
(2)Std. InChI: InChI=1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H
(3)Std. InChIKey: LRHDNAVPELLXDL-UHFFFAOYSA-N