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| CAS No.: | 57584-71-1 |
|---|---|
| Name: | 5-FLUORO-2,3-DIHYDRO-1H-ISOINDOLE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H8FN |
| Molecular Weight: | 137.157 |
| Synonyms: | 5-Fluoro-1,3-dihydroisoindole;5-Fluoroisoindoline; |
| Density: | 1.154 g/cm3 |
| Boiling Point: | 194.4 °C at 760 mmHg |
| Flash Point: | 71.4 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-51 |
| PSA: | 12.03000 |
| LogP: | 1.75770 |
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Specification
This chemical is called 5-Fluoro-2,3-dihydro-1H-isoindole, and it can also be named as 1H-isoindole, 5-fluoro-2,3-dihydro-. With the molecular formula of C8H8FN, its molecular weight is 137.15. The CAS registry number of this chemical is 57584-71-1, and its product category is Pyrroles & Indoles.
Other characteristics of the 5-Fluoro-2,3-dihydro-1H-isoindole can be summarised as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.04; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 37.15 cm3; (15)Molar Volume: 118.7 cm3; (16)Polarizability: 14.73×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 71.4 °C; (20)Enthalpy of Vaporization: 43.06 kJ/mol; (21)Boiling Point: 194.4 °C at 760 mmHg; (22)Vapour Pressure: 0.443 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc2CNCc2c1
2.InChI: InChI=1/C8H8FN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2
3.InChIKey: UYIALDLZAMTNLK-UHFFFAOYAA