Basic Information | Post buying leads | Suppliers |
Name |
Benzo[b]thiophene,2-bromo- |
EINECS | N/A |
CAS No. | 5394-13-8 | Density | 1.649 g/cm3 |
PSA | 28.24000 | LogP | 3.66380 |
Solubility | N/A | Melting Point |
44.5-45℃ |
Formula | C8H5BrS | Boiling Point | 284.7 °C at 760 mmHg |
Molecular Weight | 213.098 | Flash Point | 126 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-26-36/37/39 | Risk Codes | 20/21/22-36/37/38-36-22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-Bromobenzo[b]thiophene; |
The Benzo[b]thiophene,2-bromo-, with the CAS registry number 5394-13-8, is also known as 2-Bromobenzo[b]thiophene. This chemical's molecular formula is C8H5BrS and molecular weight is 213.0943. What's more, both its IUPAC name and systematic name are the same which is called 2-Bromo-1-benzothiophene.
Physical properties about Benzo[b]thiophene,2-bromo- are: (1)ACD/LogP: 5.15; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.15; (4)ACD/LogD (pH 7.4): 5.15; (5)ACD/BCF (pH 5.5): 4845.1; (6)ACD/BCF (pH 7.4): 4845.1; (7)ACD/KOC (pH 5.5): 15119.35; (8)ACD/KOC (pH 7.4): 15119.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 50.16 cm3; (15)Molar Volume: 129.2 cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.649 g/cm3; (18)Flash Point: 126 °C; (19)Enthalpy of Vaporization: 50.27 kJ/mol; (20)Boiling Point: 284.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00503 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2sc1ccccc1c2
(2) InChI: InChI=1/C8H5BrS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
(3) InChIKey: WIFMYMXKTAVDSQ-UHFFFAOYAQ