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Cas Database |
| Name |
1H-Indole-2,3-dione,1-(phenylmethyl)- |
EINECS | N/A |
| CAS No. | 1217-89-6 | Density | 1.311 g/cm3 |
| PSA | 37.38000 | LogP | 2.48110 |
| Solubility | N/A | Melting Point |
128.0 to 132.0 °C |
| Formula | C15H11NO2 | Boiling Point | 416.8 °C at 760 mmHg |
| Molecular Weight | 237.258 | Flash Point | 195.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Isatin, 1-benzyl- (6CI);1-(Phenylmethyl)-1H-indole-2,3-dione;1-Benzyl-1H-indole-2,3-dione;1-Benzylindoline-2,3-dione;1-Benzylisatin;N-Benzylisatin;NSC 100000;Indole-2,3-dione,1-benzyl- (7CI,8CI); |
Article Data | 202 |
1H-Indole-2,3-dione,1-(phenylmethyl)- Specification
The 1H-Indole-2,3-dione,1-(phenylmethyl)-, with the CAS registry number 1217-89-6, is also known as N-Benzylisatin. This chemical's molecular formula is C15H11NO2 and molecular weight is 237.2533. Its IUPAC name is called 1-benzylindole-2,3-dione.
Physical properties of 1H-Indole-2,3-dione,1-(phenylmethyl)-: (1)ACD/LogP: 2.36; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.66; (5)Molar Refractivity: 66.8 cm3; (6)Molar Volume: 180.8 cm3; (7)Surface Tension: 59.8 dyne/cm; (8)Density: 1.311 g/cm3; (9)Flash Point: 195.9 °C; (10)Enthalpy of Vaporization: 67.01 kJ/mol; (11)Boiling Point: 416.8 °C at 760 mmHg; (12)Vapour Pressure: 3.72E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O
(2)InChI: InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
(3)InChIKey: SIISFRLGYDVIRG-UHFFFAOYSA-N
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