CAS No.822-27-5,DI-N-OCTYL DISULFIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	822-27-5
Name:	DI-N-OCTYL DISULFIDE
Article Data:	80

Formula:	C₁₆H₃₄S₂
Molecular Weight:	290.578
Synonyms:	1-(Octyldisulfanyl)octane;9,10-Dithiaoctadecane;dioctyl disulfide;1,1'-dithiodioctane;n-Octyl disulfide;Octyl disulfide;
EINECS:	212-494-7
Density:	0.906 g/cm³
Melting Point:	-28.99°C
Boiling Point:	369.4 °C at 760 mmHg
Flash Point:	159.3 °C
PSA:	50.60000
LogP:	7.08880

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Specification

The Disulfide, dioctyl, with the CAS registry number 822-27-5, is also known as Octyl disulfide. Its EINECS number is 212-494-7. This chemical's molecular formula is C₁₆H₃₄S₂ and molecular weight is 290.57. What's more, its systematic name is 1-(octyldisulfanyl)octane.

Physical properties of Disulfide, dioctyl are: (1)ACD/LogP: 9.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.21; (4)ACD/LogD (pH 7.4): 9.21; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2435804.75; (8)ACD/KOC (pH 7.4): 2435804.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 92.16 cm³; (15)Molar Volume: 320.5 cm³; (16)Polarizability: 36.53×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 0.906 g/cm³; (19)Flash Point: 159.3 °C; (20)Enthalpy of Vaporization: 59.2 kJ/mol; (21)Boiling Point: 369.4 °C at 760 mmHg; (22)Vapour Pressure: 2.53E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by octane-1-thiol at the temperature of 30 °C. This reaction will need reagent air and solvent hexane with the reaction time of 2.5 hours. This reaction will also need catalyst hydrotalcite. The yield is about 100%.

Uses of Disulfide, dioctyl: it can be used to produce 1-trifluoromethylsulfanyl-octane at the ambient temperature . It will need reagent t-BuOOH and solvent ethyl acetate. The yield is about 100%.

Uses of Disulfide, dioctyl can be used to produce 1-trifluoromethylsulfanyl-octane at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: S(SCCCCCCCC)CCCCCCCC
(2)Std. InChI: InChI=1S/C16H34S2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
(3)Std. InChIKey: AROCLDYPZXMJPW-UHFFFAOYSA-N