Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole,6-bromo-1-methyl- |
EINECS | N/A |
CAS No. | 125872-95-9 | Density | 1.472 g/cm3 |
PSA | 4.93000 | LogP | 2.94080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8BrN | Boiling Point | 300.878 °C at 760 mmHg |
Molecular Weight | 210.073 | Flash Point | 135.766 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Harmful:; |
|
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Bromo-1-methylindole;6-Bromo-1-methyl-1H-indole; |
Article Data | 40 |
The 1H-Indole,6-bromo-1-methyl-, with the CAS registry number 125872-95-9, is also known as 6-Bromo-1-methylindole. This chemical's molecular formula is C9H8BrN and molecular weight is 210.07. What's more, its systematic name is 6-Bromo-1-methyl-1H-indole.
Physical properties of 1H-Indole,6-bromo-1-methyl- are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 194; (6)ACD/BCF (pH 7.4): 194; (7)ACD/KOC (pH 5.5): 1509; (8)ACD/KOC (pH 7.4): 1509; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 50.248 cm3; (15)Molar Volume: 142.754 cm3; (16)Polarizability: 19.92×10-24 cm3; (17)Surface Tension: 41.527 dyne/cm; (18)Density: 1.472 g/cm3; (19)Flash Point: 135.766 °C; (20)Enthalpy of Vaporization: 51.935 kJ/mol; (21)Boiling Point: 300.878 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2ccn(C)c2c1
(2)InChI: InChI=1/C9H8BrN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
(3)InChIKey: PXHJDPPKNUGKPM-UHFFFAOYAS