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| Name |
2H-Indol-2-one,4,5-difluoro-1,3-dihydro- |
EINECS | N/A |
| CAS No. | 850429-64-0 | Density | 1.415 g/cm3 |
| PSA | 29.10000 | LogP | 1.59740 |
| Solubility | N/A | Melting Point |
194-198 °C |
| Formula | C8H5F2NO | Boiling Point | 294.7 °C at 760 mmHg |
| Molecular Weight | 169.13 | Flash Point | 132 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
4,5-Difluoro-1,3-dihydroindol-2-one;4,5-Difluorooxindole;,5-Difluoro-1,3-dihydro-2H-indol-2-one; |
2H-Indol-2-one,4,5-difluoro-1,3-dihydro- Specification
The IUPAC name of 2H-Indol-2-one,4,5-difluoro-1,3-dihydro- is 4,5-difluoro-1,3-dihydroindol-2-one. With the CAS registry number 850429-64-0, it is also named as 4,5-Difluorooxindole. The product's categories are Blocks; Fluoro Compounds; Indoles Oxindoles; Indole / Indoline / Oxindole; Indoline & Oxindole. It should be stored in cold place. In addition, its molecular formula is C8H5F2NO and its molecular weight is 169.13.
The other characteristics of 2H-Indol-2-one,4,5-difluoro-1,3-dihydro- can be summarized as: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 37.28 cm3; (9)Molar Volume: 119.4 cm3; (10)Polarizability: 14.77×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.415 g/cm3; (13)Flash Point: 132 °C; (14)Melting Point: 194-198 °C; (15)Enthalpy of Vaporization: 53.44 kJ/mol; (16)Boiling Point: 294.7 °C at 760 mmHg; (17)Vapour Pressure: 0.00159 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1c(F)ccc2c1CC(=O)N2
(2)InChI: InChI=1/C8H5F2NO/c9-5-1-2-6-4(8(5)10)3-7(12)11-6/h1-2H,3H2,(H,11,12)
(3)InChIKey: YUPHSWQGQCGBQH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H5F2NO/c9-5-1-2-6-4(8(5)10)3-7(12)11-6/h1-2H,3H2,(H,11,12)
(5)Std. InChIKey: YUPHSWQGQCGBQH-UHFFFAOYSA-N
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