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CAS No.: | 5398-14-1 |
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Name: | [(2-chlorooctyl)sulfonyl]benzene |
Molecular Structure: | |
Formula: | C14H21ClO2S |
Molecular Weight: | 288.83 |
Synonyms: | Sulfone,2-chlorooctyl phenyl (8CI);NSC 4576;Sulfone, 2-chlorooctyl phenyl;[(2-Chlorooctyl)sulfonyl]benzene; |
Density: | 1.117 g/cm3 |
Boiling Point: | 420.6 °C at 760 mmHg |
Flash Point: | 208.1 °C |
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The Benzene,[(2-chlorooctyl)sulfonyl]-, with the CAS registry number 5398-14-1, is also known as Sulfone, 2-chlorooctyl phenyl. This chemical's molecular formula is C14H21ClO2S and molecular weight is 288.83. What's more, its systematic name is [(2-chlorooctyl)sulfonyl]benzene.
Physical properties of Benzene,[(2-chlorooctyl)sulfonyl]- are: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 42.52 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 77.42 cm3; (9)Molar Volume: 258.5 cm3; (10)Polarizability: 30.69×10-24cm3; (11)Surface Tension: 37.7 dyne/cm; (12)Density: 1.117 g/cm3; (13)Flash Point: 208.1 °C; (14)Enthalpy of Vaporization: 64.83 kJ/mol; (15)Boiling Point: 420.6 °C at 760 mmHg; (16)Vapour Pressure: 6.81E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CC(Cl)CCCCCC
(2)InChI: InChI=1S/C14H21ClO2S/c1-2-3-4-6-9-13(15)12-18(16,17)14-10-7-5-8-11-14/h5,7-8,10-11,13H,2-4,6,9,12H2,1H3
(3)InChIKey: CGIDFWMJFIUOPK-UHFFFAOYSA-N