Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Bromo-3-cyanoindole |
EINECS | N/A |
CAS No. | 224434-83-7 | Density | 1.74 g/cm3 |
PSA | 39.58000 | LogP | 2.80208 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H5BrN2 | Boiling Point | 405.939 °C at 760 mmHg |
Molecular Weight | 221.056 | Flash Point | 199.305 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Bromo-1H-indole-3-carbonitrile;6-Bromo-3-cyanoindole; |
Article Data | 10 |
The 1H-Indole-3-carbonitrile,6-bromo-, with the CAS registry number 224434-83-7, is also known as 6-Bromo-3-cyanoindole. It belongs to the product categories of Indole; Organohalides. This chemical's molecular formula is C9H5BrN2 and molecular weight is 221.05. What's more, its systematic name is 6-bromo-1H-indole-3-carbonitrile.
Physical properties of 1H-Indole-3-carbonitrile,6-bromo- are: (1)ACD/LogP: 2.90; (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): 132; (6)ACD/BCF (pH 7.4): 132; (7)ACD/KOC (pH 5.5): 1144; (8)ACD/KOC (pH 7.4): 1144; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 39.58 Å2; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 50.523 cm3; (15)Molar Volume: 127.016 cm3; (16)Polarizability: 20.029×10-24cm3; (17)Surface Tension: 72.276 dyne/cm; (18)Density: 1.74 g/cm3; (19)Flash Point: 199.305 °C; (20)Enthalpy of Vaporization: 65.76 kJ/mol; (21)Boiling Point: 405.939 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2c(c1)ncc2C#N
(2)Std. InChI: InChI=1S/C9H5BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H
(3)Std. InChIKey: PUBXTAVHPDZLBK-UHFFFAOYSA-