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Cas Database |
| Name |
Benzene,1-bromo-4-(ethylsulfonyl)- |
EINECS | N/A |
| CAS No. | 26732-20-7 | Density | 1.52 g/cm3 |
| PSA | 42.52000 | LogP | 3.32350 |
| Solubility | N/A | Melting Point |
54-55 °C |
| Formula | C8H9BrO2S | Boiling Point | 357.828 °C at 760 mmHg |
| Molecular Weight | 249.128 | Flash Point | 170.208 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
Sulfone,p-bromophenyl ethyl (6CI,7CI,8CI);1-Bromo-4-(ethylsulfonyl)benzene;4-Bromophenyl ethyl sulfone;Ethyl 4-bromophenyl sulfone;p-(Ethylsulfonyl)bromobenzene;p-Bromophenyl ethyl sulfone;1-bromo-4-(ethylsulfonyl)benzene;4-Bromophenyl ethyl sulfone;Benzene, 1-bromo-4-(ethylsulfonyl)-; |
Article Data | 13 |
Benzene,1-bromo-4-(ethylsulfonyl)- Specification
The Benzene,1-bromo-4-(ethylsulfonyl)-, with the CAS registry number 26732-20-7, has the systamtic name of 1-bromo-4-(ethylsulfonyl)benzene. It is a kind of irritant chamical, and the molecular formula of the chemical is C8H9BrO2S.
The characteristics of Benzene,1-bromo-4-(ethylsulfonyl)- are as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 220; (8)ACD/KOC (pH 7.4): 220; (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: 1.554; (14)Molar Refractivity: 52.549 cm3; (15)Molar Volume: 163.903 cm3; (16)Polarizability: 20.832×10-24cm3; (17)Surface Tension: 40.887 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 170.208 °C; (20)Enthalpy of Vaporization: 57.947 kJ/mol; (21)Boiling Point: 357.828 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Br)cc1)CC
(2)InChI: InChI=1/C8H9BrO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
(3)InChIKey: UGLVDQBMOMYGJF-UHFFFAOYAX
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