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7596-80-7

Basic Information
CAS No.: 7596-80-7
Name: 1,2-BIS(METHANESULFONAMIDO)BENZENE
Article Data: 5
Molecular Structure:
Molecular Structure of 7596-80-7 (1,2-BIS(METHANESULFONAMIDO)BENZENE)
Formula: C8H12N2O4S2
Molecular Weight: 264.326
Synonyms: N,N'-1,2-Phenylenedimethanesulfonamide;
Density: 1.551 g/cm3
Melting Point: 211-214 °C
Boiling Point: 423.5 °C at 760 mmHg
Flash Point: 209.9 °C
Safety: 22-24/25
PSA: 109.10000
LogP: 2.73720
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Specification

The Methanesulfonamide,N,N'-1,2-phenylenebis-, with the CAS registry number of 7596-80-7, is also known as N,N'-1,2-Phenylenedimethanesulfonamide. Its molecular formula is C8H12N2O4S2 and molecular weight is 264.32. What's more, its IUPAC name is N-[2-(Methanesulfonamido)phenyl]methanesulfonamide. In addition, it must be stored in airtight containers and placed in a dry, cool place. The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about the Methanesulfonamide,N,N'-1,2-phenylenebis- are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 91.52 Å2; (7)Index of Refraction: 1.634; (8)Molar Refractivity: 60.94 cm3; (9)Molar Volume: 170.4 cm3; (10)Surface Tension: 69.1 dyne/cm; (11)Density: 1.551 g/cm3; (12)Flash Point: 209.9 °C; (13)Enthalpy of Vaporization: 67.78 kJ/mol; (14)Boiling Point: 423.5 °C at 760 mmHg; (15)Vapour Pressure: 2.23E-07 mmHg at 25 °C.

Preparation: this chemical can be obtained by Methanesulfonyl chloride and Benzene-1,2-diamine. The reaction needs reagent NaOH. The reaction time is 4.5 h. The yield is about 76 %.

The Methanesulfonamide,N,N'-1,2-phenylenebis- can be obtained by Methanesulfonyl chloride and Benzene-1,2-diamine

Uses: it is used to produce other chemicals. For example, it is used to produce N-(2-Hydroxy-ethyl)-N-(2-methanesulfonylamino-phenyl)-methanesulfonamide. This reaction needs reagent NaOH. The reaction time is 12 h. The yield is about 62 %.

The Methanesulfonamide,N,N'-1,2-phenylenebis- can react with 2-Chloro-ethanol to get N-(2-Hydroxy-ethyl)-N-(2-methanesulfonylamino-phenyl)-methanesulfonamide

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(Nc1ccccc1NS(=O)(=O)C)C
(2) InChI: InChI=1/C8H12N2O4S2/c1-15(11,12)9-7-5-3-4-6-8(7)10-16(2,13)14/h3-6,9-10H,1-2H3
(3) InChIKey: BYZJRLRCNOECEV-UHFFFAOYAD