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Cas Database |
| Name |
Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl- |
EINECS | N/A |
| CAS No. | 2849-81-2 | Density | 1.104 g/cm3 |
| PSA | 54.55000 | LogP | 3.54350 |
| Solubility | Soluble in water. | Melting Point |
112-113 °C(Solv: water (7732-18-5); ethanol (64-17-5)) |
| Formula | C11H17NO2S | Boiling Point | 327.7 °C at 760 mmHg |
| Molecular Weight | 227.327 | Flash Point | 152 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
p-Toluenesulfonamide,N-tert-butyl- (6CI,7CI,8CI);N-tert-Butyl-4-methylbenzenesulfonamide;N-tert-Butyl-p-toluenesulfonamide;NSC 59496;N-(tert-Butyl)-p-toluenesulfonamide; |
Article Data | 61 |
Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl- Specification
The Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl-, with the CAS registry number 2849-81-2, is also known as N-tert-Butyl-p-toluenesulfonamide. This chemical's molecular formula is C11H17NO2S and formula weight is 227.32. What's more, its systematic name is N-tert-butyl-4-methylbenzenesulfonamide.
Physical properties of Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 62.37 cm3; (9)Molar Volume: 205.8 cm3; (10)Surface Tension: 36.5 dyne/cm; (11)Density: 1.104 g/cm3; (12)Flash Point: 152 °C; (13)Enthalpy of Vaporization: 57.01 kJ/mol; (14)Boiling Point: 327.7 °C at 760 mmHg; (15)Vapour Pressure: 0.000198 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NC(C)(C)C
(2)InChI: InChI=1S/C11H17NO2S/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4/h5-8,12H,1-4H3
(3)InChIKey: NYEPSLKMENGNDO-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04167. |
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