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| CAS No.: | 103-19-5 |
|---|---|
| Name: | P-TOLYL DISULFIDE |
| Article Data: | 516 |
| Molecular Structure: | |
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| Formula: | C14H14S2 |
| Molecular Weight: | 246.397 |
| Synonyms: | p-Tolyldisulfide (6CI,8CI);4-Methylphenyl disulfide;Biodylon;Bis(4-methylphenyl)disulfane;Bis(4-tolyl) disulfide;Bis(p-methylphenyl) disulfide;Bis(p-tolyl) disulfide;Di-4-tolyl disulfide;Di-p-Tolyl disulfide;Kresulfin;NSC 677466;NSC 994; |
| EINECS: | 203-087-5 |
| Density: | 1.171 g/cm3 |
| Melting Point: | 43-46 °C(lit.) |
| Boiling Point: | 349.475 °C at 760 mmHg |
| Flash Point: | 192.606 °C |
| Appearance: | colorless to light yellow crystalline solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| Transport Information: | UN 3335 |
| PSA: | 50.60000 |
| LogP: | 5.10280 |
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Specification
The Disulfide,bis(4-methylphenyl), with the CAS registry number 103-19-5, is also known as p-Tolyl disulfide. It belongs to the product categories of Organic Building Blocks; Sulfides/Disulfides; Sulfur Compounds. Its EINECS registry number is 203-087-5. This chemical's molecular formula is C14H14S2 and molecular weight is 246.39096. Its IUPAC name is called 1-methyl-4-[(4-methylphenyl)disulfanyl]benzene. This chemical is colorless to light yellow crystalline solid.
Physical properties of Disulfide,bis(4-methylphenyl): (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.282; (4)ACD/LogD (pH 7.4): 5.282; (5)ACD/BCF (pH 5.5): 6087.963; (6)ACD/BCF (pH 7.4): 6087.963; (7)ACD/KOC (pH 5.5): 17803.971; (8)ACD/KOC (pH 7.4): 17803.971; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 76.736 cm3; (12)Molar Volume: 210.452 cm3; (13)Surface Tension: 49.705 dyne/cm; (14)Density: 1.171 g/cm3; (15)Flash Point: 192.606 °C; (16)Enthalpy of Vaporization: 57.051 kJ/mol; (17)Boiling Point: 349.475 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
Uses of Disulfide,bis(4-methylphenyl): it can be used to produce 2b-acetamido-3a-p-tolylthio-5a-cholestane at temperature of 156 °C. This reaction will need reagent B4NBF4 electrolyte and solvent CH2Cl2 with reaction time of 7 hours. The yield is about 35%.
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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. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C
(2)InChI: InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3
(3)InChIKey: TZOVOULUMXXLOJ-UHFFFAOYSA-N