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Cas Database |
| Name |
(E)-3-[3'-(4''-Fluorophenyl)-1'-(1''-methylethyl)-1H-indol-2''-yl]-2-propnal |
EINECS | 425-370-4 |
| CAS No. | 93957-50-7 | Density | 1.105 g/cm3 |
| PSA | 22.00000 | LogP | 5.24040 |
| Solubility | N/A | Melting Point |
127-129oC |
| Formula | C20H18FNO | Boiling Point | 497.643 °C at 760 mmHg |
| Molecular Weight | 307.367 | Flash Point | 254.766 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:Irritant;< |
|
| Molecular Structure |
|
Hazard Symbols | R43:May cause sensitization by skin contact.; R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects |
| Synonyms |
(2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal;2-Propenal,3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-, (2E)-; |
Article Data | 6 |
(E)-3-[3'-(4''-Fluorophenyl)-1'-(1''-methylethyl)-1H-indol-2''-yl]-2-propnal Chemical Properties
Systematic Name: (2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]prop-2-enal
CAS NO: 93957-50-7
Molecular Formula: C20H18FNO
Molecular Weight: 307.36
Molecular Structure: .gif)
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 22 Å2
Index of Refraction: 1.571
Molar Refractivity: 91.38 cm3
Molar Volume: 278.224 cm3
Surface Tension: 37.195 dyne/cm
Density: 1.105 g/cm3
Flash Point: 254.766 °C
Enthalpy of Vaporization: 76.566 kJ/mol
Boiling Point: 497.643 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: Fc3ccc(c2c1ccccc1n(c2\C=C\C=O)C(C)C)cc3 Copy
InChI: InChI=1/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+ Copy
InChIKey: DVWHSTKQJBIYCK-VMPITWQZBK
Std. InChI: InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+ Copy
Std. InChIKey: DVWHSTKQJBIYCK-VMPITWQZSA-N
(E)-3-[3'-(4''-Fluorophenyl)-1'-(1''-methylethyl)-1H-indol-2''-yl]-2-propnal Specification
(2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal , its cas register number is 93957-50-7. It also can be called (E)-3-[3'-(4''-Fluorophenyl)-1'-(1''-methylethyl)-1H-indol-2''-yl]-2-propnal .
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