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Cas Database |
| Name |
5-Methoxyindole-3-acetonitrile |
EINECS | N/A |
| CAS No. | 2436-17-1 | Density | 1.224 g/cm3 |
| PSA | 48.81000 | LogP | 2.24258 |
| Solubility | N/A | Melting Point |
65-69 °C(lit.) |
| Formula | C11H10N2O | Boiling Point | 408.3 °C at 760 mmHg |
| Molecular Weight | 186.213 | Flash Point | 200.7 °C |
| Transport Information | N/A | Appearance | Brown powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Indole-3-acetonitrile,5-methoxy- (6CI,7CI,8CI);3-(Cyanomethyl)-5-methoxyindole;5-Methoxy-1H-indole-3-acetonitrile; |
Article Data | 15 |
5-Methoxyindole-3-acetonitrile Chemical Properties
Systematic Name: (5-Methoxy-1H-indol-3-yl)acetonitrile
Synonyms of 5-Methoxyindole-3-acetonitrile (CAS NO.2436-17-1): 5-Methoxy-3-indolylacetonitrile ; (5-Methoxy-1H-indol-3-yl)acetonitrile
CAS NO: 2436-17-1
Molecular Formula: C11H10N2O
Molecular Weight: 186.21
Molecular Structure: 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 37.95 Å2
Index of Refraction: 1.638
Molar Refractivity: 54.66 cm3
Molar Volume: 152 cm3
Surface Tension: 54 dyne/cm
Density: 1.224 g/cm3
Flash Point: 200.7 °C
Enthalpy of Vaporization: 66.03 kJ/mol
Boiling Point: 408.3 °C at 760 mmHg
Vapour Pressure: 7.09E-07 mmHg at 25°C
Melting point: 65-69 ºC
Appearance: Brown powder
SMILES: N#CCc2c1cc(OC)ccc1nc2
InChI: InChI=1/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
InChIKey: ZBQCXEREMRGOCO-UHFFFAOYAI
Std. InChI: InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
Std. InChIKey: ZBQCXEREMRGOCO-UHFFFAOYSA-N
Product Categories of 5-Methoxyindole-3-acetonitrile (CAS NO.2436-17-1): blocks;Carboxes;IndolesOxindoles;Indoles and derivatives;Building Blocks;Heterocyclic Building Blocks;Indoles
5-Methoxyindole-3-acetonitrile Safety Profile
Hazard Codes: 
Xi
WGK Germany: 3
HazardClass: IRRITANT
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