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Benzene,1,1'-[methylenebis(sulfonyl)]bis-

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Name

Benzene,1,1'-[methylenebis(sulfonyl)]bis-

EINECS 222-291-5
CAS No. 3406-02-8 Density 1.363 g/cm3
PSA 85.04000 LogP 4.05330
Solubility N/A Melting Point 119-121 °C(lit.)
Formula C13H12O4S2 Boiling Point 552.8 °C at 760 mmHg
Molecular Weight 296.368 Flash Point 374.4 °C
Transport Information N/A Appearance White powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3406-02-8 (BIS(PHENYLSULFONYL)METHANE) Hazard Symbols IrritantXi
Synonyms

(Methylenebis(sulphonyl))bisbenzene;1,1'-(Methylenedisulfonyl)dibenzene;1-{[(Phenylsulfonyl)methyl]sulfonyl}benzene;

Article Data 52

Benzene,1,1'-[methylenebis(sulfonyl)]bis- Specification

The Benzene,1,1'-[methylenebis(sulfonyl)]bis-, with the CAS registry number 3406-02-8, is also known as 1,1'-(Methylenedisulfonyl)dibenzene. Its EINECS number is 222-291-5. This chemical's molecular formula is C13H12O4S2 and molecular weight is 296.36. What's more, its IUPAC name is benzenesulfonylmethylsulfonylbenzene.

Physical properties of Benzene,1,1'-[methylenebis(sulfonyl)]bis- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 11.01; (6)ACD/BCF (pH 7.4): 11.01; (7)ACD/KOC (pH 5.5): 193.73; (8)ACD/KOC (pH 7.4): 193.73; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 85.04 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 73.73 cm3; (15)Molar Volume: 217.3 cm3; (16)Polarizability: 29.22×10-24cm3; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.363 g/cm3; (19)Flash Point: 374.4 °C; (20)Enthalpy of Vaporization: 80.23 kJ/mol; (21)Boiling Point: 552.8 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by bis-phenylsulfanyl-methane. This reaction will need reagents H2O2, Ac2O and solvent acetic acid. The yield is about 78%.

Benzene,1,1'-[methylenebis(sulfonyl)]bis- can be prepared by bis-phenylsulfanyl-methane

Uses of Benzene,1,1'-[methylenebis(sulfonyl)]bis-: it can be used to produce 1,1,3,3-Tetrakis-phenylsulfonyl-propan at the temperature of 80°C. It will need reagent triethylamine and solvent benzene with the reaction time of 3 hours. The yield is about 95%.

Benzene,1,1'-[methylenebis(sulfonyl)]bis- can be used to produce 1,1,3,3-Tetrakis-phenylsulfonyl-propan at the temperature of 80°C

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CS(=O)(=O)c2ccccc2
(2)Std. InChI: InChI=1S/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2
(3)Std. InChIKey: QCHNSJNRFSOCLJ-UHFFFAOYSA-N

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