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CAS No.: | 97997-76-7 |
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Name: | 2,4,5,6-TETRAMETHYLBENZENEDISULFONYL DICHLORIDE |
Molecular Structure: | |
Formula: | C10H12Cl2O4S2 |
Molecular Weight: | 331.24 |
Synonyms: | Isodurenedisulfonyldichloride; |
Density: | 1.454 g/cm3 |
Melting Point: | 136 °C |
Boiling Point: | 458.927 °C at 760 mmHg |
Flash Point: | 231.351 °C |
PSA: | 85.04000 |
LogP: | 4.93680 |
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The systematic name of 1,3-Benzenedisulfonyldichloride, 2,4,5,6-tetramethyl- is 2,4,5,6-tetramethylbenzene-1,3-disulfonyl dichloride. With the CAS registry number 97997-76-7, it is also named as 2,4,5,6-Tetramethylbenzenedisulfonyl Dichloride. The product's categories are 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.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1886; (6)ACD/BCF (pH 7.4): 1886; (7)ACD/KOC (pH 5.5): 7695; (8)ACD/KOC (pH 7.4): 7695; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 85.04 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 72.542 cm3; (15)Molar Volume: 227.845 cm3; (16)Polarizability: 28.758×10-24 cm3; (17)Surface Tension: 45.606 dyne/cm; (18)Density: 1.454 g/cm3; (19)Flash Point: 231.351 °C; (20)Enthalpy of Vaporization: 69.174 kJ/mol; (21)Boiling Point: 458.927 °C at 760 mmHg ; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of 1,3-Benzenedisulfonyldichloride, 2,4,5,6-tetramethyl-: It can be obtained by 1,2,3,5-tetramethyl-benzene. This reaction needs reagent chlorosulphonic acid. The yield is 48%.
People can use the following data to convert to the molecule structure.
1. SMILES:ClS(=O)(=O)c1c(c(c(c(c1C)S(Cl)(=O)=O)C)C)C
2. InChI:InChI=1/C10H12Cl2O4S2/c1-5-6(2)9(17(11,13)14)8(4)10(7(5)3)18(12,15)16/h1-4H3
3. InChIKey:YEYQIYAYJJXKFB-UHFFFAOYAQ