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Cas Database |
| Name |
N-tosylindole |
EINECS | N/A |
| CAS No. | 31271-90-6 | Density | 1.24 g/cm3 |
| PSA | 47.45000 | LogP | 4.26750 |
| Solubility | Insoluble in water. | Melting Point |
84-86 °C |
| Formula | C15H13NO2S | Boiling Point | 458.269 °C at 760 mmHg |
| Molecular Weight | 271.34 | Flash Point | 230.953 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Indole,1-(p-tolylsulfonyl)- (8CI);1-Tosylindole;1-[(4-Methylphenyl)sulfonyl]-1H-indole;1-p-Toluenesulfonyl-1H-indole;N-(4-Methylphenylsulfonyl)indole;N-(4-Tolylsulfonyl)-1H-indole;N-Tosyl-1H-indole;N-Tosylindole;N-p-Tolylsulfonylindole;p-Toluenesulfonic acid benzotriazolide; |
Article Data | 117 |
N-tosylindole Chemical Properties
Systematic Name: 1-[(4-Methylphenyl)sulfonyl]-1H-indole
Synonyms of 1H-Indole,1-[(4-methylphenyl)sulfonyl]- (CAS NO.31271-90-6): 1-[(4-Methylphenyl)sulfonyl]-1H-indole
CAS NO: 31271-90-6
Molecular Formula: C15H13NO2S
Molecular Weight: 271.3342
Molecular Structure: .png)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 47.45 Å2
Index of Refraction: 1.627
Molar Refractivity: 77.551 cm3
Molar Volume: 218.783 cm3
Surface Tension: 48.325 dyne/cm
Density: 1.24 g/cm3
Flash Point: 230.953 °C
Enthalpy of Vaporization: 71.855 kJ/mol
Boiling Point: 458.269 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting Point: 84-86°C
SMILES: O=S(=O)(c1ccc(cc1)C)n3c2ccccc2cc3
InChI: InChI=1/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3
InChIKey: JNRRPYFLDADLJW-UHFFFAOYAA
Std. InChI: InChI=1S/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3
Std. InChIKey: JNRRPYFLDADLJW-UHFFFAOYSA-N
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