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| CAS No.: | 4403-78-5 |
|---|---|
| Name: | N,N'-Bis(ethylene)-p-Toluenesulfonamide |
| Molecular Structure: | |
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| Formula: | C16H20N2O4S2 |
| Molecular Weight: | 368.478 |
| Synonyms: | p-Toluenesulfonamide,N,N'-ethylenebis- (7CI);p-Toluenesulfonamide, N,N'-ethylenedi- (8CI);1,2-(Tosylamino)ethane;N,N'-Bis(p-toluenesulfonyl)ethylenediamine;N,N'-Bis(p-tolylsulfonyl)-1,2-ethylenediamine;N,N'-Bis(toluenesulfonyl)-1,2-ethylenediamine;N,N'-Bis(tosyl)-1,2-diaminoethane;N,N'-Ditosylethylenediamine;N,N'-Ethylenebis(p-toluenesulfonamide);NSC 25018; |
| Density: | 1.297 g/cm3 |
| Boiling Point: | 549.934 °C at 760 mmHg |
| Flash Point: | 286.39 °C |
| PSA: | 109.10000 |
| LogP: | 4.50360 |
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Specification
The Benzenesulfonamide,N,N'-1,2-ethanediylbis[4-methyl-, with the CAS registry number 4403-78-5, is also known as N,N'-Ditosylethylenediamine. This chemical's molecular formula is C16H20N2O4S2 and molecular weight is 368.086449. Its IUPAC name is called 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide.
Physical properties of Benzenesulfonamide,N,N'-1,2-ethanediylbis[4-methyl-: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.071; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 22.062; (5)ACD/BCF (pH 7.4): 22.04; (6)ACD/KOC (pH 5.5): 318.709; (7)ACD/KOC (pH 7.4): 318.391; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 94.913 cm3; (13)Molar Volume: 284.069 cm3; (14)Surface Tension: 48.591 dyne/cm; (15)Density: 1.297 g/cm3; (16)Flash Point: 286.39 °C; (17)Enthalpy of Vaporization: 82.989 kJ/mol; (18)Boiling Point: 549.934 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by ethane-1,2-diamine and toluene-4-sulfonyl chloride. The reaction time is 30 min with reaction temperature of 79.85 °C.
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Uses of Benzenesulfonamide,N,N'-1,2-ethanediylbis[4-methyl-: it can be used to produce N,N'-bis-(2-hydroxy-ethyl)-N,N'-ethanediyl-bis-toluene-4-sulfonamide by heating. This reaction will need reagent K2CO3 and solvent dimethylformamide. The yield is about 94%.
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You can still convert the following datas into molecular structure:
(1)IUPAC Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
(2)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=C(C=C2)C
(3)InChI: InChI=1S/C16H20N2O4S2/c1-13-3-7-15(8-4-13)23(19,20)17-11-12-18-24(21,22)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3
(4)InChIKey: HOFGETLODCEHBQ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 41, 1953. |