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1142-19-4

Basic Information
CAS No.: 1142-19-4
Name: 4,4'-DICHLORODIPHENYL DISULFIDE
Article Data: 211
Molecular Structure:
Molecular Structure of 1142-19-4 (4,4'-DICHLORODIPHENYL DISULFIDE)
Formula: C12H8Cl2S2
Molecular Weight: 287.234
Synonyms: Disulfide,bis(p-chlorophenyl) (6CI,7CI,8CI);4,4'-Dichlorodiphenyl disulfide;4-Chlorophenyl disulfide;Bis(4-chlorophenyl) disulfide;Bis(p-chlorophenyl)disulfide;DDDS;DDDS (pesticide);Di(p-chlorophenyl) disulfide;MCS;MCS(sulfide);NSC 32025;NSC 677444;p,p'-Dichlorodiphenyl disulfide;p-Chlorophenyl disulfide;
EINECS: 214-531-2
Density: 1.431 g/cm3
Melting Point: 71-74 °C(lit.)
Boiling Point: 373.174 °C at 760 mmHg
Flash Point: 167.843 °C
Appearance: Colorless or light yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 50.60000
LogP: 5.79280
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    1142-19-4

    Bis(4-chlorophenyl) disulfide,

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  • Bis(4-chlorophenyl)disulfide

  • Casno:

    1142-19-4

    Bis(4-chlorophenyl)disulfide

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Specification

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.