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5335-87-5

Basic Information
CAS No.: 5335-87-5
Name: BIS(4-METHOXYPHENYL) DISULPHIDE
Article Data: 208
Molecular Structure:
Molecular Structure of 5335-87-5 (BIS(4-METHOXYPHENYL) DISULPHIDE)
Formula: C14H14O2S2
Molecular Weight: 278.396
Synonyms: Anisole,4,4'-dithiodi- (6CI,7CI,8CI);4,4'-Dimethoxydiphenyl disulfide;4,4'-Dithiodi[anisole];4-Methoxyphenyl disulfide;Bis(4-methoxyphenyl)disulfide;Bis(p-methoxyphenyl) disulfide;Bis(p-methoxyphenyl)disulfane;Di-p-anisyl disulfide;Di-p-methoxyphenyl disulfide;ICD 2467;NSC 995;p-Methoxyphenyl disulfide;
Density: 1.249 g/cm3
Melting Point: 41-45 °C(lit.)
Boiling Point: 395.108 °C at 760 mmHg
Flash Point: 192.754 °C
Appearance: Yellow crystalline low melting powder and chunks
Hazard Symbols: IrritantXi; DangerousN
Risk Codes: 41-50/53
Safety: 60-61
Transport Information: UN 3077
PSA: 69.06000
LogP: 4.50320
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Specification

The Disulfide,bis(4-methoxyphenyl), with CAS registry number 5335-87-5, belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfides/Disulfides; (3)Sulfur Compounds. It has the systematic name of 1,1'-disulfanediylbis(4-methoxybenzene). This chemical is a kind of yellow crystalline low melting powder and chunks. And the chemical formula of this chemical is C14H14O2S2.

Physical properties of Disulfide,bis(4-methoxyphenyl): (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.708; (4)ACD/LogD (pH 7.4): 4.708; (5)ACD/BCF (pH 5.5): 2230.686; (6)ACD/BCF (pH 7.4): 2230.686; (7)ACD/KOC (pH 5.5): 8677.779; (8)ACD/KOC (pH 7.4): 8677.779; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 69.06 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 80.22 cm3; (15)Molar Volume: 222.827 cm3; (16)Polarizability: 31.802×10-24cm3; (17)Surface Tension: 52.388 dyne/cm; (18)Density: 1.249 g/cm3; (19)Flash Point: 192.754 °C; (20)Enthalpy of Vaporization: 62.004 kJ/mol; (21)Boiling Point: 395.108 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methoxy-benzenethiol. This reaction will need reagent CD2Cl2. The reaction temperature is 20 ℃.

When you are using this chemical, please be cautious about it as the following:
The Disulfide,bis(4-methoxyphenyl) has risk of serious damage to the eyes. And this chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)SSc2ccc(cc2)OC
(2)InChI: InChI=1/C14H14O2S2/c1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
(3)InChIKey: PZQGLCGLPMWYBT-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H14O2S2/c1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
(5)Std. InChIKey: PZQGLCGLPMWYBT-UHFFFAOYSA-N