Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-1-methyl-1H-indole |
EINECS | N/A |
CAS No. | 10075-52-2 | Density | 1.47g/cm3 |
PSA | 4.93000 | LogP | 2.94080 |
Solubility | N/A | Melting Point |
43 °C |
Formula | C9H8BrN | Boiling Point | 300.9 °C at 760 mmHg |
Molecular Weight | 210.073 | Flash Point | 135.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-26-36/37/39 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn; Xi | |
Synonyms |
Indole,5-bromo-1-methyl- (6CI,7CI,8CI);1-Methyl-5-bromoindole;5-Bromo-1-methyl-1H-indole;5-Bromo-1-methylindole;N-Methyl-5-bromoindole;NSC143238; |
Article Data | 3 |
The 5-Bromo-1-methyl-1H-indole, with CAS registry number 10075-52-2, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Indoles Oxindoles; (4)Indole. It has the systematic name of 5-bromo-1-methyl-1H-indole. Besides this, it is also called 1H-indole, 5-bromo-1-methyl-. And the chemical formula of this chemical is C9H8BrN.
Physical properties of 5-Bromo-1-methyl-1H-indole: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 4.93 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 50.24 cm3; (9)Molar Volume: 142.7 cm3; (10)Polarizability: 19.92×10-24cm3; (11)Surface Tension: 41.5 dyne/cm; (12)Enthalpy of Vaporization: 51.93 kJ/mol; (13)Vapour Pressure: 0.00195 mmHg at 25°C.
Preparation: this chemical can be prepared by iodomethane and 5-bromo-indole. This reaction will need reagent NaH and solvent tetrahydrofuran. The yield is about 100%.
When you are using this chemical, please be cautious about it as the following:
The 5-Bromo-1-methyl-1H-indole irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed, so do not breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)n(cc2)C
(2)InChI: InChI=1/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
(3)InChIKey: SBOITLSQLQGSLO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
(5)Std. InChIKey: SBOITLSQLQGSLO-UHFFFAOYSA-N