Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-6-chloroindole |
EINECS | N/A |
CAS No. | 122531-09-3 | Density | 1.773 g/cm3 |
PSA | 15.79000 | LogP | 3.58380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5BrClN | Boiling Point | 357.991 °C at 760 mmHg |
Molecular Weight | 230.491 | Flash Point | 170.307 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-6-chloro-1H-indole; |
Article Data | 2 |
The CAS registry number of 122531-09-3 is called 5-Bromo-6-chloro indole. The IUPAC name is 5-bromo-6-chloro-1H-indole. In addition, the formula is C8H5BrClN and the molecular weight is 230.489. It should be stored in a cool environment.
Physical properties about this chemical are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.656; (4)ACD/LogD (pH 7.4): 3.656; (5)ACD/BCF (pH 5.5): 353.568; (6)ACD/BCF (pH 7.4): 353.568; (7)ACD/KOC (pH 5.5): 2321.675; (8)ACD/KOC (pH 7.4): 2321.675; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 51.114 cm3; (15)Molar Volume: 130.007 cm3; (16)Polarizability: 20.263 ×10-24cm3; (17)Surface Tension: 56.908 dyne/cm; (18)Density: 1.773 g/cm3; (19)Flash Point: 170.307 °C; (20)Enthalpy of Vaporization: 57.964 kJ/mol; (21)Boiling Point: 357.991 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1cc(c(c2)Cl)Br
(2)InChI: InChI=1/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
(3)InChIKey: SMZUROGBNBCCPT-UHFFFAOYAO