CAS No.26732-20-7,1-BROMO-4-(ETHYLSULFONYL)BENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26732-20-7
Name:	1-BROMO-4-(ETHYLSULFONYL)BENZENE
Article Data:	13

Formula:	C₈H₉BrO₂S
Molecular Weight:	249.128
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)-;
Density:	1.52 g/cm³
Melting Point:	54-55 °C
Boiling Point:	357.828 °C at 760 mmHg
Flash Point:	170.208 °C
Hazard Symbols:	Xi
PSA:	42.52000
LogP:	3.32350

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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