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Cas Database |
| Name |
Benzenesulfonamide,N,N'-1,2-ethanediylbis- |
EINECS | N/A |
| CAS No. | 4392-52-3 | Density | 1.353 g/cm3 |
| PSA | 109.10000 | LogP | 3.88680 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H16N2O4S2 | Boiling Point | 537.4 °C at 760 mmHg |
| Molecular Weight | 340.424 | Flash Point | 278.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenesulfonamide,N,N'-ethylenebis- (7CI,8CI);1,2-Ethanediamine, N,N'-bis(phenylsulfonyl)-;N,N'-1,2-Ethanediylbis(benzenesulfonamide);N,N'-Bis(phenylsulfonyl)ethylenediamine;N,N'-Ethylenebis(benzenesulfonamide);NSC 2294; |
Article Data | 14 |
Benzenesulfonamide,N,N'-1,2-ethanediylbis- Specification
The Benzenesulfonamide,N,N'-1,2-ethanediylbis-, with the CAS registry number 4392-52-3, is also known as N,N'-ethane-1,2-diyldibenzenesulfonamide. This chemical's molecular formula is C14H16N2O4S2 and molecular weight is 340.055148. Its IUPAC name is called N-[2-(benzenesulfonamido)ethyl]benzenesulfonamide.
Physical properties of Benzenesulfonamide,N,N'-1,2-ethanediylbis-: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.77; (5)ACD/BCF (pH 7.4): 20.74; (6)ACD/KOC (pH 5.5): 305.29; (7)ACD/KOC (pH 7.4): 304.81; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 85.66 cm3; (13)Molar Volume: 251.5 cm3; (14)Surface Tension: 51.3 dyne/cm; (15)Density: 1.353 g/cm3; (16)Flash Point: 278.8 °C; (17)Enthalpy of Vaporization: 81.43 kJ/mol; (18)Boiling Point: 537.4 °C at 760 mmHg; (19)Vapour Pressure: 1.28E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H16N2O4S2/c17-21(18,13-7-3-1-4-8-13)15-11-12-16-22(19,20)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
(3)InChIKey: MNWWPCXFYMPQSJ-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. |
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