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CAS No.: | 68985-08-0 |
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Name: | 2,4-MESITYLENEDISULFONYL DICHLORIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H10Cl2O4S2 |
Molecular Weight: | 317.214 |
Synonyms: | 2,4,6-Trimethyl-1,3-benzenedisulfonylchloride;2,4-Mesitylenedisulfonyl Dichloride; |
Density: | 1.499 g/cm3 |
Melting Point: | 125 °C |
Boiling Point: | 428.1 °C at 760 mmHg |
Flash Point: | 212.7 °C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3261 |
PSA: | 85.04000 |
LogP: | 4.62840 |
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The 1,3-Benzenedisulfonyldichloride, 2,4,6-trimethyl-, with the CAS registry number 68985-08-0, is also known as 2,4-Mesitylenedisulfonyl Dichloride. It belongs to the product categories of Biochemistry; Condensation & Active Esterification; Condensing Agents (DNA/RNA Synthesis); Nucleosides, Nucleotides & Related Reagents; Protecting Agents, Phosphorylating Agents & Condensing Agents; Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry. This chemical's molecular formula is C9H10Cl2O4S2 and formula weight is 317.21. What's more, its systematic name is 2,4,6-trimethylbenzene-1,3-disulfonyl dichloride.
Physical properties of 1,3-Benzenedisulfonyldichloride, 2,4,6-trimethyl- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/BCF (pH 5.5): 843.02; (5)ACD/KOC (pH 5.5): 4324.3; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 85.04 Å2; (10)Index of Refraction: 1.555; (11)Molar Refractivity: 67.91 cm3; (12)Molar Volume: 211.5 cm3; (13)Surface Tension: 46.9 dyne/cm; (14)Density: 1.499 g/cm3; (15)Flash Point: 212.7 °C; (16)Enthalpy of Vaporization: 65.67 kJ/mol; (17)Boiling Point: 428.1 °C at 760 mmHg; (18)Vapour Pressure: 3.89E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,3,5-trimethyl-benzene at the temperature of -5°C. This reaction will need reagent chlorosulphonic acid with the reaction time of 1 hour. The yield is about 79%.
Uses of 1,3-Benzenedisulfonyldichloride, 2,4,6-trimethyl-: it can be used to produce 1,2-di-p-tolyl-ethane at the temperature of 0°C under the condition of irradiation. It will need solvent CH2Cl2. The yield is about 4%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1c(cc(c(c1C)S(Cl)(=O)=O)C)C
(2)InChI: InChI=1/C9H10Cl2O4S2/c1-5-4-6(2)9(17(11,14)15)7(3)8(5)16(10,12)13/h4H,1-3H3
(3)InChIKey: LNXKRGBQKLXFTB-UHFFFAOYAH