|
The IUPAC name of 6-Methoxyindole is 6-methoxy-1H-indole. With the CAS registry number 3189-13-7, it is also named as 1H-Indole, 6-methoxy-. The product's categories are Blocks; Indoles Oxindoles; Indole / Indoline / Oxindole; Indole and Indoline; Pharmacetical; Pyrroles & Indoles; Indoles; Indole Series; Simple Indoles; Indole; Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blocks. Besides, it is white shiny crystals, which should be stored in closed, cool and dry place. It is light sensitive. In addition, its molecular formula is C9H9NO and molecular weight is 147.18. The structures of syn and anti 6-methoxyindole have been determined in the electronic ground and excited states using rotationally resolved electronic spectroscopy and high level ab initio calculations. Second order coupled cluster theory predicts the lowest excited singlet states to be heavily mixed and the transition dipole moments to depend strongly on the geometries. From the analysis of the rovibronic spectra of seven isotopomers, the absolute orientation of the transition dipole moment within the principle axis frame was determined to be Lb-like for both conformers. The other characteristics of this product can be summarized as: CAS NO.:3189-13-7 EINECS: 221-689-6; ACD/LogP: 2.00; Rule of 5 Violations: 0; ACD/LogD (pH 5.5): 2; ACD/LogD (pH 7.4): 2; ACD/BCF (pH 5.5): 19.42; ACD/BCF (pH 7.4): 19.42; ACD/KOC (pH 5.5): 290.94; ACD/KOC (pH 7.4): 290.94; H bond acceptors: 2; H bond donors: 1; Freely Rotating Bonds: 1; Index of Refraction: 1.637; Molar Refractivity: 45.2 cm3; Molar Volume: 125.8 cm3; Surface Tension: 45.7 dyne/cm; Density: 1.169 g/cm3; Flash Point: 109.2 C; Melting point: 90-94 C; Enthalpy of Vaporization: 51.61 kJ/mol; Boiling Point: 297.8 C at 760 mmHg; Vapour Pressure: 0.00234 mmHg at 25 C. Preparation of 6-Methoxyindole: this chemical can be prepared by 6-Methoxy-indole-2-carboxylic acid.This reaction needs Quinoline by microwave. The reaction time is 12 min. The yield is 99 %. The Usages of 6-Methoxyindole: it can react with 2-Nitro-propene to get 6-Methoxy-3-(2-nitro-propyl)-indole.This reaction needs Benzene by heating. The yield is 67 %. When you are using 6-Methoxyindole, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing. People can use the following data to convert to the molecule structure of 6-Methoxyindole. (1)SMILES: COc1ccc2cc[nH]c2c1 (2)InChI: InChI=1/C9H9NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3 (3)InChIKey: QJRWYBIKLXNYLF-UHFFFAOYAN (4)Std. InChI: InChI=1S/C9H9NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3 (5)Std. InChIKey: QJRWYBIKLXNYLF-UHFFFAOYSA-N Want to learn more information about 6-Methoxyindole, you can access the guidechem.com. Guidechem.com is just a place for you to look for some chemicals. Guidechem provide the most convenient conditions for the international buyers and let these leads benefit all the business people. Guidechem chemical B2B network provides information on china and global chemical market quotation and relative chemical Information. Guidechem Chemical Network providing the most complete information of the chemical industry.
Related Articles -
6-Methoxyindole, guidechem, 3189-13-7,
| 
