4,4'-DICHLORODIPHENYL DISULFIDE

The Disulfide,bis(4-chlorophenyl), with CAS registry number 1142-19-4, belongs to the following product category: Aromatics. It has the systematic name of 1,1'-disulfanediylbis(4-chlorobenzene). This chemical is a kind of light yellow solid. And this chemical should be stored in cool, dry place in tightly closed containers. What's more, its EINECS is 214-531-2.

Physical properties of Disulfide,bis(4-chlorophenyl): (1)ACD/LogP: 6.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.016; (4)ACD/LogD (pH 7.4): 6.016; (5)ACD/BCF (pH 5.5): 21969.094; (6)ACD/BCF (pH 7.4): 21969.094; (7)ACD/KOC (pH 5.5): 44612.348; (8)ACD/KOC (pH 7.4): 44612.348; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 77.145 cm³; (15)Molar Volume: 200.722 cm³; (16)Polarizability: 30.583×10^-24cm³; (17)Surface Tension: 59.094 dyne/cm; (18)Enthalpy of Vaporization: 59.605 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-benzenesulfonyl chloride. This reaction will need reagent NaBH₂Se₃ and solvent acetonitrile. The rection time is 2.5 hour(s). The yield is about 55%.

Uses of Disulfide,bis(4-chlorophenyl): it can be used to produce p-nitrophenyl p-chlorophenyl disulfide. This reaction will need reagent elemental sulfur and solvent liquid ammonia. The reaction time is 2 hour(s) with reaction temperature of 20 ℃. The yield is about 31%.

When you are using this chemical, please be cautious about it as the following:
The Disulfide,bis(4-chlorophenyl) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1SSc2ccc(cc2)Cl)Cl
(2)InChI: InChI=1/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
(3)InChIKey: ZIXXRXGPBFMPFD-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
(5)Std. InChIKey: ZIXXRXGPBFMPFD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 3gm/kg (3000mg/kg)		"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 65, 1969.
mouse	LD50	unreported	> 3gm/kg (3000mg/kg)		Residue Reviews. Vol. 36, Pg. 240, 1971.