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| CAS No.: | 1774-35-2 |
|---|---|
| Name: | 4,4'-Dimethyldiphenylsulfoxide |
| Molecular Structure: | |
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| Formula: | C14H14OS |
| Molecular Weight: | 230.331 |
| Synonyms: | p-Tolyl sulfoxide(6CI,7CI,8CI);4,4'-Ditolyl sulfoxide;Bis(4-methylphenyl) sulfoxide;Bis(p-methylphenyl) sulfoxide;Di-4-tolylsulfoxide;Di-p-tolyl sulfoxide;NSC 73128; |
| EINECS: | 217-203-7 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 94-96 °C(lit.) |
| Boiling Point: | 378.3 °C at 760 mmHg |
| Flash Point: | 182.6 °C |
| PSA: | 36.28000 |
| LogP: | 4.33580 |
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Specification
The Benzene,1,1'-sulfinylbis[4-methyl-, with CAS registry number 1774-35-2, belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfoxides; (3)Sulfur Compounds. It has the systematic name of 1,1'-sulfinylbis(4-methylbenzene). What's more, its EINECS is 217-203-7.
Physical properties of Benzene,1,1'-sulfinylbis[4-methyl-: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 108.37; (6)ACD/BCF (pH 7.4): 108.37; (7)ACD/KOC (pH 5.5): 995.87; (8)ACD/KOC (pH 7.4): 995.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.28 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 69.58 cm3; (15)Molar Volume: 192.8 cm3; (16)Polarizability: 27.58×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Enthalpy of Vaporization: 60.16 kJ/mol; (19)Vapour Pressure: 1.39E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by methylbenzene. This reaction will need reagents AlCl3, thionyl chloride.
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Uses of Benzene,1,1'-sulfinylbis[4-methyl-: it can be used to produce di-p-tolyl sulfone. This reaction will need reagent C6H5C(O)NCl2 and solvent CCl4. The yield is about 93%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=S(c1ccc(cc1)C)c2ccc(cc2)C
(2)InChI: InChI=1/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
(3)InChIKey: MJWNJEJCQHNDNM-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
(5)Std. InChIKey: MJWNJEJCQHNDNM-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 600mg/kg (600mg/kg) | International Journal of Radiation Biology and Related Studies in Physics, Chemistry and Medicine. Vol. 3, Pg. 41, 1961. | |
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01759, |