Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
[(Difluoromethyl)sulfonyl]benzene |
EINECS | N/A |
CAS No. | 1535-65-5 | Density | 1.349 g/cm3 |
PSA | 42.52000 | LogP | 2.76370 |
Solubility | Soluble in chloroform and water. | Melting Point |
24-25℃ |
Formula | C7H6F2O2S | Boiling Point | 289.547 °C at 760 mmHg |
Molecular Weight | 192.186 | Flash Point | 128.914 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-24/25 | Risk Codes | 36/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzene, [(difluoromethyl)sulfonyl]-;Difluoromethyl phenyl sulfone; |
Article Data | 23 |
[(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