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| CAS No.: | 5943-30-6 |
|---|---|
| Name: | sec-Butyl disulfide |
| Molecular Structure: | |
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|
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| Formula: | C8H18S2 |
| Molecular Weight: | 178.363 |
| Synonyms: | sec-Butyldisulfide (6CI,7CI,8CI);1-Methylpropyl disulfide;3,6-Dimethyl-4,5-dithiaoctane;Bis(1-methylpropyl) disulfide;Bis(2-butyl)disulfide;Di(1-methylpropyl) disulfide;Di-sec-butyl disulfide; |
| EINECS: | 227-702-1 |
| Density: | 0.942 g/cm3 |
| Melting Point: | -36.74°C (estimate) |
| Boiling Point: | 220.6 °C at 760 mmHg |
| Flash Point: | 67.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 50.60000 |
| LogP: | 3.96480 |
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Specification
The sec-Butyl disulfide ,its cas register number is 5943-30-6.It also can be called as Disulfide, bis(1-methylpropyl) and the IUPAC name about this chemical is 2-(Butan-2-yldisulfanyl)butane .It belongs to the Sulfur compounds.Also it can be stored between 2°C and 8°C.
Following are the chemical properties about sec-Butyl disulfide :(1)#H bond acceptors: 0 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 5 ; (4)Polar Surface Area: 50.6Å2 ; (5)Index of Refraction: 1.493 ; (6)Molar Refractivity: 55.02 cm3 ; (7)Molar Volume: 189.2 cm3; (8) Polarizability: 21.81x10-24cm3 ; (9)Surface Tension: 30.9 dyne/cm ; (10)Enthalpy of Vaporization: 43.85 kJ/mol ; (11)Vapour Pressure: 0.166 mmHg at 25°C ; (12)Refractive index: n20/D 1.492(lit.)
The sec-Butyl disulfide is a dangerous chemical, because it irritating to eyes, respiratory system and skin. In the using process, you need to wear suitable protective clothing and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Except these safety informations, there are also exist other data like WGK Germany is 3, HazardClass is 6.1(b) and PackingGroup about this chemical is III.
This chemical can be described computed from structure:
(1)Canonical SMILES: CCC(C)SSC(C)CC
(2)InChI: InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3
(3)InChIKey: QTWKINKGAHTPFJ-UHFFFAOYSA-N